AG003C42

53585-93-6 | (R)-(-)-Hexahydromandelic acid

AG003C42

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CAS Number	53585-93-6
Catalog Number	AG003C42(AGN-PC-0SFIDR)
Chemical Name	(R)-(-)-Hexahydromandelic acid
IUPAC Name	(2R)-2-cyclohexyl-2-hydroxyacetic acid
InChI	InChI=1S/C8H14O3/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7,9H,1-5H2,(H,10,11)/t7-/m1/s1
InChI Key	RRDPWAPIJGSANI-SSDOTTSWSA-N
MDL Number	MFCD00009824
Molecular Formula	C8H14O3
Molecular Weight	158.1950
SMILES	[C@@H](C(=O)O)(O)C1CCCCC1
Synonyms	(R)-2-Cyclohexyl-2-hydroxyacetic acid, (R)-(-)-Hexahydromandelic acid, 53585-93-6, (2R)-2-cyclohexyl-2-hydroxyacetic acid, (R)-hexahydromandelic acid, (2r)-cyclohexyl(hydroxy)acetic acid, AC1LGEDP, AC1Q5R3L, SCHEMBL503695, (R)-Cyclohexylhydroxyacetic acid, RRDPWAPIJGSANI-SSDOTTSWSA-N, ZINC12953954, (R)-(-)-Cyclohexylhydroxyacetic acid, (R)-(-)-HEXAHYDROMANDELICACID, AJ-63135, (r)-(-)-2-cyclohexyl-2-hydroxyacetic acid, FT-0640176, ST24035368, Z2102, (R)-(-)-Hexahydromandelic acid, 98%, optical purity ee: 99% (GLC), Cyclohexaneglycolic acid, (S)-(+)-Hexahydromandelic acid, C8H14O3, KST-1A5548, AR-1A2766, CID819914, 53914-83-3, 61475-31-8,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	158.094g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	158.197g/mol
Monoisotopic Mass	158.094g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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