AG00BYF5

3894-09-5 | 2-Cyclohexyl-2-phenylacetic acid

AG00BYF5

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CAS Number	3894-09-5
Catalog Number	AG00BYF5(AGN-PC-0RI5DU)
Chemical Name	2-Cyclohexyl-2-phenylacetic acid
EC Number	223-443-3
IUPAC Name	2-cyclohexyl-2-phenylacetic acid
InChI	InChI=1S/C14H18O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16)
InChI Key	AAJLPPDFIRPBDA-UHFFFAOYSA-N
MDL Number	MFCD00001477
Molecular Formula	C14H18O2
Molecular Weight	218.2915
NSC Number	60418
SMILES	C1(CCCCC1)C(C(=O)O)C1=CC=CC=C1
Synonyms	Cyclohexylphenylacetic acid, 3894-09-5, 2-cyclohexyl-2-phenylacetic acid, cyclohexyl(phenyl)acetic acid, alpha-Cyclohexylphenylacetic acid, AAJLPPDFIRPBDA-UHFFFAOYSA-N, .alpha.-Cyclohexylphenylacetic acid, AC1Q5RUR, cyclohexyl-phenylacetic acid, AC1L3ZK4, a-Cyclohexylphenylacetic acid, cyclohexyl-phenyl-acetic acid, SCHEMBL67219, alpha-Phenylcyclohexylacetic acid, AAJLPPDFIRPBDA-UHFFFAOYSA-, [Carboxy(cyclohexyl)methyl]benzene, 2-cyclohexyl-2-phenyl-acetic acid, ACT06599, NSC60418, ZX-AT005036, EINECS 223-443-3, MFCD00001477, NSC-60418, OR0997, SBB057536, AKOS022220971, MCULE-3884646937, VZ31640, Benzeneacetic acid, .alpha.-cyclohexyl-, CC-26093, FT-0082872, ST50308129, Y5029, K-0061, C-11943, InChI=1/C14H18O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16), C14H18O2, CID97942, AR-1I3146, (2R)-2-cyclohexyl-2-phenylacetic acid, C2812, 4112-03-2, 51019-55-7,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.131g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.296g/mol
Monoisotopic Mass	218.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.2

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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