AG0039VS

85-52-9 | 2-Benzoylbenzoic Acid

AG0039VS

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CAS Number	85-52-9
Catalog Number	AG0039VS(AGN-PC-0WA65J)
Chemical Name	2-Benzoylbenzoic Acid
EC Number	201-612-2
IUPAC Name	2-benzoylbenzoic acid
InChI	InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
InChI Key	FGTYTUFKXYPTML-UHFFFAOYSA-N
MDL Number	MFCD00002472
Molecular Formula	C14H10O3
Molecular Weight	226.2274
NSC Number	6646
SMILES	C(C1=CC=CC=C1)(=O)C1=C(C(=O)O)C=CC=C1
UNII	1N20Y812XW
Synonyms	2-benzoylbenzoic acid, 2-BENZOYLBENZOIC ACID, 85-52-9, o-Benzoylbenzoic acid, Benzophenone-2-carboxylic acid, 2-Carboxybenzophenone, Benzoic acid, 2-benzoyl-, Benzoic acid, o-benzoyl-, o-Carboxybenzophenone, Benzophenone-2-carbonic acid, 2-Benzoquinonecarboxylic acid, BENZOYLBENZOIC ACID, 2-(phenylcarbonyl)benzoic acid, 2-BenzoYl-Benzoic Acid, Ortho-benzoylbenzoic acid, NSC 6646, SKP 10A, UNII-1N20Y812XW, HSDB 5249, EINECS 201-612-2, MFCD00002472, BRN 1107841, AI3-15222, CHEMBL196812, FGTYTUFKXYPTML-UHFFFAOYSA-N, 1N20Y812XW, 27458-06-6, 2-Benzoylbenzoic acid, 98+%, Benzoic acid, benzoyl-, Benzoylbenzoesaure, benzoyl benzoic acid, 2-BenzoylbenzoicAcid, o-benzoyl benzoic acid, o-benzoyl-benzoic acid, 0-benzoyl benzoic acid, 2-benzoyl benzoic acid, PubChem20125, AC1Q5UTK, ACMC-209q6h, AC1L1ND1, (pR)-2-Benzoylbenzoic acid, (pS)-2-Benzoylbenzoic acid, Oprea1_391180, SCHEMBL76332, 4-10-00-02977 (Beilstein Handbook Reference), KSC206I7R, 2-Benzoylbenzoic acid, 98%, AC1Q723L, IFLab1_004537, RARECHEM AL BO 1426, DTXSID6058924, CTK1A6478, KS-00000CDE, TIMTEC-BB SBB016647, 1-carboxy-2-phenylcarbonylbenzene, NSC6646, ORTHO-BENZOYL BENZOIC ACID, HMS1424O05, ZINC157193, NSC-6646, AKOS BBS-00000803, ANW-38199, BBL007937, BDBM50174202, LABOTEST-BB LT01143281, LABOTEST-BB LT03328148, LABOTEST-BB LT03333255, SBB016647, STK387490, AKOS000118995, AC-2859, AS00732, CCG-202854, MCULE-6199465138, RP27653, RTR-031103, IDI1_010292, OTAVA-BB 7020401721, AJ-14942, AN-13525, LS-36099, AB1002798, TR-031103, B0103, BB 0220554, EU-0033235, FT-0611294, ST24022007, ST50211380, T8228, AG-205/01795007, SR-01000596918, Q-200252, SR-01000596918-1, I14-14206, F0902-7613, InChI=1/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17, batimastat, 2-benzoylbenzoesyre, o-Benzoylbenzoesaure, CID6813, C14H10O3, AR-1D9086, C14-H10-O3, 2-Benzoylbenzoic acid, 98% - 100G 100g, 130370-60-4, 88327-91-7,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.063g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.231g/mol
Monoisotopic Mass	226.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number