AG002CNP

20029-52-1 | Benzoic acid, 4-​cyclohexyl-

AG002CNP

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CAS Number	20029-52-1
Catalog Number	AG002CNP(AGN-PC-0JLXCV)
Chemical Name	Benzoic acid, 4-​cyclohexyl-
EC Number	243-472-5
IUPAC Name	4-cyclohexylbenzoic acid
InChI	InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
InChI Key	QCIWHVKGVVQHIY-UHFFFAOYSA-N
MDL Number	MFCD00039459
Molecular Formula	C13H16O2
Molecular Weight	204.2649
NSC Number	126462
SMILES	C(=O)(O)c1ccc(cc1)C1CCCCC1
Synonyms	4-Cyclohexylbenzoic acid, 20029-52-1, 4-Cyclohexyl-benzoic acid, Benzoic acid, 4-cyclohexyl-, QCIWHVKGVVQHIY-UHFFFAOYSA-N, MFCD00039459, EINECS 243-472-5, NSC126462, 4cyclohexylbenzoic acid, 4-CyclohexylbenzoicAcid, p-cyclohexylbenzoic acid, ACMC-1CMBU, AC1L3FIK, Cyclohexybenzoicacid; 98%, AC1Q5TW0, (4-Carboxyphenyl)cyclohexane, Oprea1_387451, SCHEMBL354930, AC1Q735F, AC1Q735G, CHEMBL3593500, DTXSID00173849, HMS1719D20, KS-00000XB7, ZINC1715188, 4-cyclohexylbenzoic acid, AldrichCPR, ANW-23902, SBB037867, STK020874, AKOS000117588, MCULE-6270150685, NE29314, NSC-126462, VZ28913, NCGC00323465-01, AC-13413, SC-46116, ST079665, DB-045065, TC-112647, FT-0618320, EN300-11611, AB01318709-02, AE-641/01665049, SR-01000061399, SR-01000061399-1, EH1, Biphenyl-4-carboxylic acid, CID88337, AR-1G2044, C13-H16-O2, C1523, 4-Cyclohexylbenzoic acid, 98% - 25G 25g, 92-92-2, 2047-21-4,

Complexity	211
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	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338-P321-P405-P501
UN Code

Certificate of Analysis

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