AG003NSI

3900-93-4 | 2-Cyclopentyl-2-Phenylacetic Acid

AG003NSI

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CAS Number	3900-93-4
Catalog Number	AG003NSI(AGN-PC-0RIDC2)
Chemical Name	2-Cyclopentyl-2-Phenylacetic Acid
EC Number	223-454-3
IUPAC Name	2-cyclopentyl-2-phenylacetic acid
InChI	InChI=1S/C13H16O2/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15)
InChI Key	BCJIDGDYYYBNNB-UHFFFAOYSA-N
MDL Number	MFCD00001379
Molecular Formula	C13H16O2
Molecular Weight	204.2649
NSC Number	68311
SMILES	O=C(O)C(C1CCCC1)C2=CC=CC=C2
Synonyms	alpha-phenylcyclopentylacetic acid, alpha-phenylcyclopentylacetic acid, (+-)-isomer, alpha-phenylcyclopentylacetic acid, (R)-isomer, 3900-93-4, 2-cyclopentyl-2-phenylacetic acid, cyclopentyl(phenyl)acetic acid, Cyclopentylphenylacetic acid, alpha-Phenylcyclopentaneacetic acid, alpha-Cyclopentylphenylacetic acid, alpha-Phenylcyclopentylacetic acid, Acetic acid, cyclopentyphenyl-, Acetic acid, cyclopentylphenyl-, Benzeneacetic acid, .alpha.-cyclopentyl-, .alpha.-Phenylcyclopentaneacetic acid, BCJIDGDYYYBNNB-UHFFFAOYSA-N, MFCD00001379, Cyclopentaneacetic acid, .alpha.-phenyl-, a-phenylcyclopentaneacetic acid, EINECS 223-454-3, NSC 68311, Cyclopentaneacetic acid, alpha-phenyl-, ACMC-1AIIP, AC1Q5RUQ, Maybridge1_000853, AC1L3ZO4, AC1Q71NT, Oprea1_088912, SCHEMBL69127, a-Cyclopentylphenylacetic acid, alpha-CyclopentylphenylaceticAcid, BCJIDGDYYYBNNB-UHFFFAOYSA-, CTK4I0823, HMS543O17, Benzeneacetic acid, a-cyclopentyl-, Cyclopentylphenylacetic acid, 97%, 2-cyclopentyl-2-phenyl-acetic acid, ALBB-006573, KS-000016UM, NSC68311, .alpha.-Cyclopentylphenylacetic acid, ANW-29005, BBL005417, NSC-68311, SBB015078, STK501244, AKOS005171589, Benzeneacetic acid, alpha-cyclopentyl-, CCG-234412, MCULE-1011427019, RP04478, AK115254, (2RS)-2-Cyclopentyl-2-phenylacetic Acid, TR-015673, BB 0257280, FT-0622136, R1021, ST24027971, ST45029491, Y5030, I04-4364, J-509246, InChI=1/C13H16O2/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15), UNII-56T1UCM052, 2-Cyclopentyl-2-phenylaceticacid, 56T1UCM052, C13H16O2, CID98014, AR-1I3300, c0808, C13-H16-O2, alpha-phenylcyclopentylacetic acid, (R)-isomer, alpha-phenylcyclopentylacetic acid, (+-)-isomer, C079302, 7647-01-0,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.115g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.269g/mol
Monoisotopic Mass	204.115g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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