AG003KEJ

964-68-1 | 4,4'-Carbonyldibenzoic acid

AG003KEJ

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CAS Number	964-68-1
Catalog Number	AG003KEJ(AGN-PC-0JTEWU)
Chemical Name	4,4'-Carbonyldibenzoic acid
IUPAC Name	4-(4-carboxybenzoyl)benzoic acid
InChI	InChI=1S/C15H10O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-8H,(H,17,18)(H,19,20)
InChI Key	LFEWXDOYPCWFHR-UHFFFAOYSA-N
MDL Number	MFCD00016538
Molecular Formula	C15H10O5
Molecular Weight	270.2369
SMILES	C(=O)(C1=CC=C(C(=O)O)C=C1)C1=CC=C(C(=O)O)C=C1
Synonyms	4,4'-Carbonyldibenzoic Acid, 964-68-1, Benzophenone-4,4'-dicarboxylic acid, 4,4-Carbonyldibenzoic Acid, AC1LBXRI, 4,4'-Dicarboxybenzophenone, Oprea1_430654, SCHEMBL69729, 4,4'-carbonylbisbenzoic acid, DTXSID00343601, 4-(4-carboxybenzoyl)benzoic acid, LFEWXDOYPCWFHR-UHFFFAOYSA-N, Benzoic acid, 4,4'-carbonylbis-, ZINC2146859, 6763AC, ANW-72956, MFCD00016538, AKOS015836353, Benzophenone-4,4\'-dicarboxylic Acid, FS-4859, 4-(4-carboxyphenyl)carbonylbenzoic acid, AJ-33613, AX8115887, TR-030151, 4-[(4-carboxyphenyl)-oxomethyl]benzoic acid, FT-0654156, ST24028654, A845597, C-57433, I14-6160, Benzophenone-4,4'-dicarboxylicacid, C15H10O5, CID590830, B1741,

Complexity	351
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.053g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	270.24g/mol
Monoisotopic Mass	270.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	91.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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