(1S,2S)-2-(Anthracene-2,3-dicarboximido)cyclohexanecarboxylic Acid - >97.0%(HPLC), high purity , CAS No.446044-45-7

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Item Number

S161263

Grouped product items
SKU	Size	Availability	Price	Qty
S161263-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
S161263-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$353.90

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Basic Description

Synonyms	DTXSID00659739 \| (1S,2S)-2-(Anthracene-2,3-dicarboximido)cyclohexanecarboxylic Acid \| (1S,2S)-2-(1,3-Dioxo-1H-naphtho[2,3-f]isoindol-2(3H)-yl)cyclohexanecarboxylicacid \| (1S,2S)-2-(1,3-Dioxo-1H-naphtho[2,3-f]isoindol-2(3H)-yl)cyclohexanecarboxylic acid \|
Specifications & Purity	≥97%(HPLC)
Shipped In	Normal

Names and Identifiers

IUPAC Name	(1S,2S)-2-(1,3-dioxonaphtho[2,3-f]isoindol-2-yl)cyclohexane-1-carboxylic acid
INCHI	InChI=1S/C23H19NO4/c25-21-18-11-15-9-13-5-1-2-6-14(13)10-16(15)12-19(18)22(26)24(21)20-8-4-3-7-17(20)23(27)28/h1-2,5-6,9-12,17,20H,3-4,7-8H2,(H,27,28)/t17-,20-/m0/s1
InChi Key	IIJKRPVAVXANME-PXNSSMCTSA-N
Canonical SMILES	C1CCC(C(C1)C(=O)O)N2C(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3C2=O
Isomeric SMILES	C1CC[C@@H]([C@H](C1)C(=O)O)N2C(=O)C3=CC4=CC5=CC=CC=C5C=C4C=C3C2=O
PubChem CID	44629755
Molecular Weight	373.41
Reaxy-Rn	9809507

Chemical and Physical Properties

Solubility	Very slightly soluble in Chloroform
Specific Rotation[α]	42° (C=0.2,THF)
Molecular Weight	373.400 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	373.131 Da
Monoisotopic Mass	373.131 Da
Topological Polar Surface Area	74.700 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	636.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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	9809507

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Basic Description