AG00BDGD

20585-39-1 | (R)-2-Cyclohexyl-2-Hydroxy-2-Phenylacetic Acid

AG00BDGD

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CAS Number	20585-39-1
Catalog Number	AG00BDGD(AGN-PC-0QVMH1)
Chemical Name	(R)-2-Cyclohexyl-2-Hydroxy-2-Phenylacetic Acid
IUPAC Name	(2R)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid
InChI	InChI=1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)/t14-/m0/s1
InChI Key	YTRNSQPXEDGWMR-AWEZNQCLSA-N
MDL Number	MFCD09753427
Molecular Formula	C14H18O3
Molecular Weight	234.2909
SMILES	O=C(O)[C@@](O)(C1CCCCC1)C2=CC=CC=C2
UNII	U22E6O9P8C
Synonyms	20585-39-1, (R)-Cyclohexylhydroxyphenylacetic acid, (R)-2-Cyclohexyl-2-hydroxy-2-phenylacetic acid, (R)-Cyclohexyl-hydroxy-phenyl-acetic acid, Cyclohexylphenylglycolic acid, (-)-, UNII-U22E6O9P8C, U22E6O9P8C, (R)-2-Cyclohexyl-2-hydroxyphenylacetic Acid, (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid, (R)-2'-Cyclohexylmandelic Acid, (2r)-cyclohexyl(hydroxy)phenylacetic acid, alpha-Cyclohexyl-D-mandelic acid, AC1LFFTF, (R)-Cyclohexyl(hydroxy)phenylacetic acid, (R)-CYCLOHEXYLPHENYLGLYCOLIC ACID, PubChem14190, AC1Q5QYC, (r)-cyclohexylmandelic acid, SCHEMBL1235433, (S)-2'-Cyclohexylmandelic acid, CTK4E4605, DTXSID00174598, YTRNSQPXEDGWMR-AWEZNQCLSA-N, ZINC267944, ACT09217, Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, (alphaR)-, MFCD09753427, CC-1101, ACM20585391, AJ-18655, AX8047810, FT-0665345, X-1049, (R)-2-Hydroxy-2-cyclohexyl-2-phenylacetic acid, (R)-alpha-cyclohexyl-alpha-hydroxybenzeneacetic acid, Benzeneacetic acid, a-cyclohexyl-a-hydroxy-, (R)-, UNII-QH762W903U component YTRNSQPXEDGWMR-AWEZNQCLSA-N, Hexahydrobenzilic acid, KST-1A2595, AR-1A2767, CID777377, CB10136, -CYCLOHEXYLHYDROXYPHENYLACETICACID, 20688-72-6, 20585-34-6,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	234.126g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	234.295g/mol
Monoisotopic Mass	234.126g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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