AG003KZM

611-95-0 | 4-Benzoylbenzoic acid

AG003KZM

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CAS Number	611-95-0
Catalog Number	AG003KZM(AGN-PC-0JL8U4)
Chemical Name	4-Benzoylbenzoic acid
EC Number	210-286-0
IUPAC Name	4-benzoylbenzoic acid
InChI	InChI=1S/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17)
InChI Key	IFQUPKAISSPFTE-UHFFFAOYSA-N
MDL Number	MFCD00002560
Molecular Formula	C14H10O3
Molecular Weight	226.2274
NSC Number	37115
SMILES	O=C(O)C1=CC=C(C(C2=CC=CC=C2)=O)C=C1
Synonyms	4-benzoylbenzoic acid, 4-Benzoylbenzoic acid, 611-95-0, p-Benzoylbenzoic acid, 4-Carboxybenzophenone, Benzoic acid, 4-benzoyl-, 4-Benzoyl-benzoic acid, 4-(phenylcarbonyl)benzoic acid, Benzoic acid, p-benzoyl-, Benzophenone-4-carboxylic acid, 4-benzoyl benzoic acid, EINECS 210-286-0, MFCD00002560, NSC 37115, 4-Benzoylbenzoic acid, 99%, IFQUPKAISSPFTE-UHFFFAOYSA-N, AK110438, PubChem14544, ACMC-209mpx, 4-(benzoyl)benzoic acid, AC1L2B7Y, AC1Q5UR4, Oprea1_315988, SCHEMBL81964, Benzil-related compound, 40, AC1Q734T, CHEMBL192648, BDBM22762, DTXSID60209996, Benzoic acid, p-benzoyl- (8CI), (4-Carboxyphenyl)(phenyl)methanone, Benzoic acid, 4-benzoyl- (9CI), BCP22725, NSC37115, ZINC2504355, ZX-AT018495, ANW-33715, IMED90203808, KM0472, NSC-37115, SBB057196, STK950852, AKOS001115838, BCP9000152, CS-W022083, MCULE-2146627041, OR18378, KS-00000H30, AJ-35974, AN-46485, AS-19324, CC-18010, LS-36100, AX8015181, DB-053809, ST2405559, TR-031330, B1164, FT-0617635, ST45028910, X6938, 4-Benzoylbenzoic acid, purum, >=98.0% (T), C-12850, I01-19058, Z90122571, InChI=1/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17, 4-Bromobenzhydrol, C14H10O3, CID69147, AR-1G1058, C14-H10-O3, 4-Benzoylbenzoic acid, 99% - 1G 1g, C058818, 28547-23-1, 6270-63-9,

Complexity	284
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	3

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

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