AG00C4EF

2438-04-2 | 2-propan-2-ylbenzoic acid

AG00C4EF

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CAS Number	2438-04-2
Catalog Number	AG00C4EF(AGN-PC-0D8B4T)
Chemical Name	2-propan-2-ylbenzoic acid
IUPAC Name	2-propan-2-ylbenzoic acid
InChI	InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3,(H,11,12)
InChI Key	BANZVKGLDQDFDV-UHFFFAOYSA-N
MDL Number	MFCD00045836
Molecular Formula	C10H12O2
Molecular Weight	164.2011
SMILES	CC(C)C1=C(C=CC=C1)C(O)=O
Synonyms	2-Isopropylbenzoic acid, 2438-04-2, 2-propan-2-ylbenzoic acid, 2-(propan-2-yl)benzoic acid, 2-Isopropyl-benzoic acid, Benzoic acid, (1-methylethyl)-, Benzoic acid, 2-(1-methylethyl)-, BANZVKGLDQDFDV-UHFFFAOYSA-N, o-cuminic acid, o-cumic acid, isopropylbenzoic acid, 2-Isopropylbenzoicacid, PubChem19980, 2-Isopropylbenzoic acid #, 2-(methylethyl)benzoic acid, SCHEMBL254364, 2-(1-methylethyl)benzoic acid, AC1L29B2, o-ISOPROPYL BENZOIC ACID, CTK0J2191, BCP04820, KS-000017VW, ZINC2038290, ANW-63885, MFCD00045836, SBB087803, AKOS004907109, AS06256, CM12827, FS-2206, MCULE-6483894536, AJ-33109, AM807182, SC-28788, SY019147, TC-152630, FT-0687133, I0997, X8084, MFCD00045836 (95%), 438I042, AE-562/43286905, Z1741968596, 28134-32-9, O-ISOPROPYLBENZOIC ACID, 2-ISOPROPOXYACETOHYDRAZIDE, C10H12O2, CID17099,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.204g/mol
Monoisotopic Mass	164.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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