AG003NS3

427-49-6 | 2-Cyclopentyl-2-hydroxy-2-phenylacetic acid

AG003NS3

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CAS Number	427-49-6
Catalog Number	AG003NS3(AGN-PC-0WACFK)
Chemical Name	2-Cyclopentyl-2-hydroxy-2-phenylacetic acid
EC Number	207-047-8
IUPAC Name	2-cyclopentyl-2-hydroxy-2-phenylacetic acid
InChI	InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)
InChI Key	WFLUEQCOAQCQLP-UHFFFAOYSA-N
MDL Number	MFCD00019296
Molecular Formula	C13H16O3
Molecular Weight	220.2643
NSC Number	96637
SMILES	O=C(O)C(O)(C1CCCC1)C2=CC=CC=C2
Synonyms	427-49-6, alpha-Cyclopentylmandelic acid, 2-cyclopentyl-2-hydroxy-2-phenylacetic acid, Cyclopentylphenylglycolic acid, Cyclopentyl-hydroxy-phenyl-acetic acid, cyclopentyl(hydroxy)phenylacetic acid, alpha-Cyclopentyl-DL-mandelic Acid, Cyclopentyl Mandelic Acid, MFCD00019296, A-Cyclo Pentyl Mandelic Acid, W-106263, alpha-Cyclopentylmandelicacid, EINECS 207-047-8, cyclopentylmandelic acid, cyclopentyl-mandelic acid, 2-Cyclopentyl mandelic acid, AC1Q5SN2, Oprea1_794057, phenylcyclopentylglycolic acid, (-)-cyclopentylmandelic acid, MLS000036193, SCHEMBL415801, racemic cyclopentylmandelic acid, CHEMBL1602552, Mandelic acid, alpha-cyclopentyl, CTK7I4201, WFLUEQCOAQCQLP-UHFFFAOYSA-N, HMS2321I07, ST039, Cyclopentylhydroxy-phenylacetic acid, AC1L4020, ACT03336, ALBB-026209, BB_SC-06078, KS-000008YH, NSC96637, ZX-AN024721, alpha-Cyclopentylmandelic acid, 97%, alpha-Cyclopentylmandelic acid, 98%, ANW-44570, BBL008864, CC0137, NSC-96637, SBB010054, STK506752, AKOS003238403, AKOS016342184, CS-W014250, MCULE-9218513869, AC-16192, AK-89306, AN-44847, BC210076, OR350083, SC-58317, SMR000034062, SY011589, AB0030436, AX8014815, RT-002526, TR-042725, 4CH-007630, A4861, AM20040451, BB 0241799, FT-0622135, ST24027970, ST45029560, X2627, 2-cyclopentyl-2-hydroxy-2-phenyl acetic acid, 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid, K-8848, MFCD00019296 (97+%), 427C496, SR-01000322777, Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, SR-01000322777-1, I14-17733, 427-49-6 2-cyclopentyl-2-hydroxy-2-phenylacetic acid, Cyclopentylphenylglycolic acid; 2-Cyclopentyl-2-hydroxy-2-phenylacetic acid, 2-(RS)-Cyclopentyl-2-hydroxy-2-phenylacetic Acid (alpha-Cyclopentylmandelic Acid), Glycopyrrolate Related Compound C, United States Pharmacopeia (USP) Reference Standard, 7-Ethylindole, 7-ethyl-1H-indole, UNII-XY6HY5ZM28, XY6HY5ZM28, C13H16O3, CID98283, AR-1I3298, C13-H16-O3, Alpha-Cyclopentylmandelic Acid,98% 5gm, C2394, A16059, alpha-Cyclopentylmandelic acid, 98% - 25G 25g, |A inverted exclamation mark-Cyclopentylmandelic acid, 22867-74-9, 463-00-3,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.11g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	220.268g/mol
Monoisotopic Mass	220.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number