AG00G293

85-55-2 | 2-(4-Methylbenzoyl)benzoic acid

AG00G293

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CAS Number	85-55-2
Catalog Number	AG00G293(AGN-PC-0JL78K)
Chemical Name	2-(4-Methylbenzoyl)benzoic acid
EC Number	201-614-3
IUPAC Name	2-(4-methylbenzoyl)benzoic acid
InChI	InChI=1S/C15H12O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)
InChI Key	ICQOWIXIHDDXDI-UHFFFAOYSA-N
MDL Number	MFCD00020287
Molecular Formula	C15H12O3
Molecular Weight	240.2540
NSC Number	11224
SMILES	O=C(O)C1=CC=CC=C1C(C2=CC=C(C)C=C2)=O
UNII	4DN9G70PQF
Synonyms	2-(4-Methylbenzoyl)benzoic acid, 85-55-2, 2-(p-Toluoyl)benzoic acid, Benzoic acid, 2-(4-methylbenzoyl)-, 2-p-Toluoylbenzoic acid, 2-(p-Toluyl)benzoic acid, o-(p-Toluoyl)benzoic acid, Benzoic acid, o-(p-toluoyl)-, UNII-4DN9G70PQF, 4'-Methylbenzophenone-2-carboxylic acid, p-Toluoyl-o-benzoic acid, 4DN9G70PQF, 2-[(4-methylphenyl)carbonyl]benzoic acid, CHEMBL83270, 2-(4-Methyl-Benzoyl)Benzoic Acid, 2-(4-Methyl-benzoyl)-benzoic acid, 2-(4-METHYLBENZOYL)BENZOIC ACI D, NSC11224, EINECS 201-614-3, NSC 11224, AC1Q2JMC, AC1Q2JNJ, Maybridge1_003330, ACMC-209q6p, AC1L25NI, 2-(4-toluoyl)benzoic acid, Oprea1_759926, SCHEMBL503364, DTXSID6058926, methylbenzoylbenzenecarboxylicacid, CTK6B7652, HMS550P08, ICQOWIXIHDDXDI-UHFFFAOYSA-N, 2-(4-methylbenzoyl)-benzoic acid, ALBB-020003, ZINC3847474, 0790AF, ANW-38207, BBL013167, BDBM50145840, MFCD00020287, NSC-11224, SBB038602, STK398304, AKOS000119491, 2-(4-METHYLBENZOYL)BENZOICACID, Benzoic acid, o-(p-toluoyl)- (8CI), CCG-241929, MCULE-7014572126, NE10808, RP13738, 4-Methylbenzophenone-2'-carboxylic Acid, 2-(4-methylbenzoyl)benzenecarboxylic acid, AN-42317, SC-46772, DB-030194, TR-026727, UNM-0000306020, FT-0608920, ST45107046, UNM000011084701, 5Y-1180, AG-205/01795008, SR-01000597212, S14-0942, SR-01000597212-1, W-104079, Z56893178, F0850-6789, N-(2,3-dimethylphenyl)-4-morpholin-4-yl[1]benzofuro[3,2-d]pyrimidine-2-carboxamide, 2-p-toluoylbenzoesyre, p-Toluyl-o-benzoic acid, o-(p-Toluyl)-benzoic acid, C15H12O3, CID66563, C15-H12-O3, T0308, 7148-03-0,

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.079g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	240.258g/mol
Monoisotopic Mass	240.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number