AG003IYG

22071-22-3 | Benzeneacetic acid, 3-benzoyl-

AG003IYG

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CAS Number	22071-22-3
Catalog Number	AG003IYG(AGN-PC-0JKLNJ)
Chemical Name	Benzeneacetic acid, 3-benzoyl-
EC Number	244-760-3
IUPAC Name	2-(3-benzoylphenyl)acetic acid
InChI	InChI=1S/C15H12O3/c16-14(17)10-11-5-4-8-13(9-11)15(18)12-6-2-1-3-7-12/h1-9H,10H2,(H,16,17)
InChI Key	ALDSXDRDRWDASQ-UHFFFAOYSA-N
MDL Number	MFCD00046549
Molecular Formula	C15H12O3
Molecular Weight	240.2540
SMILES	C(=O)(c1cc(CC(=O)O)ccc1)c1ccccc1
UNII	57OG4Q7B6Y
Synonyms	3-Benzoylphenylacetic acid, 2-(3-Benzoylphenyl)acetic acid, 22071-22-3, (3-Benzoylphenyl)acetic acid, m-Benzoylphenylacetic acid, Desmethyl Ketoprofen, Benzeneacetic acid, 3-benzoyl-, RU 4462, 3-Benzoylbenzeneacetic acid, ACETIC ACID, (m-BENZOYLPHENYL)-, UNII-57OG4Q7B6Y, 57OG4Q7B6Y, CHEMBL561718, ALDSXDRDRWDASQ-UHFFFAOYSA-N, EINECS 244-760-3, BRN 2647970, 19421 R.P., 3-BENZOYLPHENYLACETICACID, Ketoprofen Impurity B, AC1L1KKV, m-benzoyl-phenyl acetic acid, SCHEMBL512838, (3-Benzoylbenzene)acetic Acid, CTK7J2382, DTXSID10176563, KS-00000C4U, ZINC2015756, 1182AB, 3-BENZOYL PHENYL ACETIC ACID, ANW-54858, BDBM50295286, MFCD00046549, AKOS016001230, RU-4462, VZ26366, ACM22071223, Benzeneacetic acid, 3-benzoyl- (9CI), TRA-0188296, AC-25584, AJ-32606, AK-34168, CC-14276, DS-12292, LS-11060, SC-21223, SY019834, 2-[3-(phenylcarbonyl)phenyl]ethanoic acid, 19421 R.P, AX8015855, DB-045781, RT-013822, TC-143603, FT-0638181, ST24027501, K-6259, MFCD00046549 (97+%), A815897, C-14386, J-014466, Ketoprofen EP Impurity B, Methyl 4-(3-formylphenyl)benzoate, C15H12O3, CID30931, ACN-048858, CS-T-16271, 110-19-0, 221021-36-9,

Complexity	305
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	4
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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