AG00I8BK

4335-77-7 | 2-Cyclohexylmandelic acid

AG00I8BK

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CAS Number	4335-77-7
Catalog Number	AG00I8BK(AGN-PC-0RRQ24)
Chemical Name	2-Cyclohexylmandelic acid
EC Number	224-380-4
IUPAC Name	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)
InChI Key	YTRNSQPXEDGWMR-UHFFFAOYSA-N
MDL Number	MFCD00194543
Molecular Formula	C14H18O3
Molecular Weight	234.2909
SMILES	C(C(=O)O)(O)(C1CCCCC1)c1ccccc1
Synonyms	4335-77-7, alpha-Cyclohexylmandelic acid, 2-cyclohexyl-2-hydroxy-2-phenylacetic acid, 2-cyclohexylmandelic acid, Cyclohexylphenylglycolic acid, Cyclohexyl-hydroxy-phenyl-acetic acid, Lespedamine, Hexahydrobenzilic acid, Cyclohexylmandelic acid, Phenyl-cyclohexylglycolic acid, RCC 32, alpha-Cyclohexyl-DL-mandelic Acid, (+-)-Cyclohexylphenylglycolic acid, a-cyclohexylmandelic acid, alpha-Phenylcyclohexaneglycolic acid, cyclohexyl(hydroxy)phenylacetic acid, EINECS 224-380-4, KL-007-M1, NSC 28945, NSC 93969, phenylcyclohexylglycolic acid, Acide phenylcyclohexylhydroxyacetique [French], alpha-Cyclohexyl-alpha-hydroxybenzeneacetic acid, 2-cyclohexyl-2-phenylglycolic acid, MFCD00194543, 50896-04-3, Cyclohexaneglycolic acid, alpha-phenyl-, FR-2333, 2-cyclohexyl-2-hydroxy-phenylacetic acid, AK-73095, cyclohexyl mandelic acid, 2-Cyclohexyl-2-hydroxy-2-phenyl-acetic acid, alpha cyclohexylmandelic acid, AE-641/03292035, W-106234, a-cyclohexyl-a-hydroxyphenyl acetic acid, Acide phenylcyclohexylhydroxyacetique, Oxybutynin Impurity D, PubChem21316, ChemDiv2_000672, 2'-Cyclohexylmandelic acid, AC1L3Z1X, AC1Q5SN5, AC1Q71SR, Oprea1_543150, cyclohexylphenyl glycolic acid, Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, MLS001211653, SCHEMBL198082, CHEMBL1333063, KS-00000LZB, Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy- (9CI), alpha-cyclohexylphenylglycolic acid, YTRNSQPXEDGWMR-UHFFFAOYSA-N, HMS1370O12, HMS2833F08, ST040, ACN-S003515, alpha-Cyclohexylmandelic acid, 97%, BCP22302, Cyclohexyl-hydroxy-phenylacetic acid, NSC28945, NSC93969, BBL000580, DT1689, NSC-28945, NSC-93969, SBB008619, STK364404, AKOS000300197, AKOS016842341, AN-4977, CCG-106579, DS-1292, MCULE-2535023800, VZ20254, ACM50896043, cyclohexyl (hydroxy) phenyl acetic acid, NCGC00245367-01, AC-16189, BAS 03334708, BR-73095, LS-56861, SC-16719, SMR000518539, SY011590, Benzeneacetic acid,a-cyclohexyl-a-hydroxy-, AB0011859, AX8005419, Benzeneacetic acid, a-cyclohexyl-a-hydroxy-, ST2409953, TR-016834, 2-cyclohexyl-2-hydroxy-2-phenyl acetic acid, AM20040469, FT-0635236, ST50016897, MFCD00194543 (95%), 4335-77-7 A-CYCLOHEXYLMANDELIC ACID, M-1778, (aS)-alpha-Hydroxy-alpha-cyclohexylbenzeneacetic acid, BRD-A49752073-001-07-3, (RS)-2-Cyclohexyl-2-hydroxy-2-phenylacetic Acid (Phenylcyclohexylglycolic Acid), Oxybutynin Related Compound A, United States Pharmacopeia (USP) Reference Standard, BENZILIC ACID, |A-cyclohexylmandelic acid, UNII-QH762W903U, cc-346, Oxybutynin Related Compound A, C14H18O3, QH762W903U, CID97700, AR-1L8544, C14-H18-O3, CS-O-15298, CS-O-30558, (S)-Cyclohexyl-hydroxy-phenyl-acetic acid, C2393, alpha-Cyclohexylmandelic acid, 98% - 1G 1g, (S)-2-Cyclohexyl-2-hydroxy-2-phenylacetic acid, |A inverted exclamation mark-Cyclohexylmandelic acid, 20294-38-6, 20585-34-6, 76-93-7,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	1
Undefined Bond Stereocenter Count	0
XLogP3	3

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

Lot Number