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(R)-(-)-6-Methoxy-α-methyl-2-naphthaleneacetic acid - 98%, high purity , CAS No.23979-41-1
Basic Description
Synonyms | (-)-6-METHOXY-.ALPHA.-METHYL-2-NAPHTHALENEACETIC ACID | CHEBI:94583 | ISOPULEGOL (MIXTURE OF ISOMERS) | (R)-(-)-6-Methoxy-alpha-methyl-2-naphthaleneacetic acid, 98% | DTXSID00904711 | HMS1568I11 | (R)-(-)-6-Methoxy-alpha-methyl-2-naphthaleneacetic acid | |
Specifications & Purity | ≥98% |
Storage Temp | Store at 2-8°C |
Shipped In | Wet ice |
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Associated Targets(Human)
Mechanisms of Action
Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
Pubchem Sid | 504757629 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757629 |
IUPAC Name | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid |
INCHI | InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1 |
InChi Key | CMWTZPSULFXXJA-SECBINFHSA-N |
Canonical SMILES | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O |
Isomeric SMILES | C[C@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O |
WGK Germany | 3 |
Molecular Weight | 230.26 |
Reaxy-Rn | 2114551 |
Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2114551&ln= |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Specific Rotation[α] | [α]20/D -66°, c = 1% in chloroform |
Melt Point(°C) | 156-158 °C |
Molecular Weight | 230.260 g/mol |
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XLogP3 | 3.300 |
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Hydrogen Bond Donor Count | 1 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 3 |
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Exact Mass | 230.094 Da |
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Monoisotopic Mass | 230.094 Da |
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Topological Polar Surface Area | 46.500 Ų |
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Heavy Atom Count | 17 |
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Formal Charge | 0 |
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Complexity | 277.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 1 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H302:Harmful if swallowed |
Precautionary Statements | P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. P301+P317:IF SWALLOWED: Get medical help. |
WGK Germany | 3 |
Reaxy-Rn | 2114551 |
Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2114551&ln= |
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Specifications
Specific Rotation [a]20/D(c=1 CHCL3) | -66--56(°) |
Purity (Titration by NaOH) | 97.5-102.5(%) |
Appearance(I168921) | White to Off-White Solid, Powder, or Crystals |
Proton NMR spectrum | Conforms to Structure |
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Citations of This Product
1. Yanxia Song, Shengya Zhang, Dina Sun, Xinxin Li, Genping Meng, Xuan Zhang, Baodui Wang. (2024) Chiral gold nanorod vertical arrays for enantioselective chemiluminescence recognition of naproxen and mechanism revealing. CHEMICAL ENGINEERING JOURNAL, 482 (148900). [PMID:] [10.1016/j.cej.2024.148900] |
References
1. Yanxia Song, Shengya Zhang, Dina Sun, Xinxin Li, Genping Meng, Xuan Zhang, Baodui Wang. (2024) Chiral gold nanorod vertical arrays for enantioselective chemiluminescence recognition of naproxen and mechanism revealing. CHEMICAL ENGINEERING JOURNAL, 482 (148900). [PMID:] [10.1016/j.cej.2024.148900] |
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