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DL-Pyroglutamic Acid Methyl Ester - >98.0%(GC), high purity , CAS No.54571-66-3
Basic Description
Synonyms | A830249 | AB08715 | 2-Pyrrolidone-5-carboxylic acid, methyl ester | methyl 5-oxopyrrolidine-2-carboxylate | CS-D0636 | Methyl 2-pyrrolidinone-5-carboxylate | FT-0650104 | MFCD03844651 | AS-18409 | M2720 | AC-32625 | methyl 2-oxopyrrolidine-5-carboxylate | |
Specifications & Purity | ≥98%(GC) |
Storage Temp | Argon charged |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 488189946 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189946 |
IUPAC Name | methyl 5-oxopyrrolidine-2-carboxylate |
INCHI | InChI=1S/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8) |
InChi Key | HQGPKMSGXAUKHT-UHFFFAOYSA-N |
Canonical SMILES | COC(=O)C1CCC(=O)N1 |
Isomeric SMILES | COC(=O)C1CCC(=O)N1 |
PubChem CID | 500249 |
Molecular Weight | 143.14 |
Reaxy-Rn | 81950 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity | Air sensitive |
Refractive Index | 1.49 |
Flash Point(°C) | 138 °C |
Boil Point(°C) | 135 °C/1 mmHg |
Melt Point(°C) | 21-23℃ |
Molecular Weight | 143.140 g/mol |
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XLogP3 | -0.400 |
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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 | 2 |
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Exact Mass | 143.058 Da |
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Monoisotopic Mass | 143.058 Da |
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Topological Polar Surface Area | 55.400 Ų |
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Heavy Atom Count | 10 |
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Formal Charge | 0 |
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Complexity | 166.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 1 |
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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 | H315:Causes skin irritation H319:Causes serious eye irritation |
Precautionary Statements | P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P264:Wash hands [and …] thoroughly after handling. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. |
Reaxy-Rn | 81950 |
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