AG003O2O

135989-69-4 | Benzophenone-2,4,5-tricarboxylic Acid

AG003O2O

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CAS Number	135989-69-4
Catalog Number	AG003O2O(AGN-PC-00ATJL)
Chemical Name	Benzophenone-2,4,5-tricarboxylic Acid
IUPAC Name	5-benzoylbenzene-1,2,4-tricarboxylic acid
InChI	InChI=1S/C16H10O7/c17-13(8-4-2-1-3-5-8)9-6-11(15(20)21)12(16(22)23)7-10(9)14(18)19/h1-7H,(H,18,19)(H,20,21)(H,22,23)
InChI Key	OGQPSIOWWYARAZ-UHFFFAOYSA-N
MDL Number	MFCD08276278
Molecular Formula	C16H10O7
Molecular Weight	314.2464
SMILES	OC(=O)C1=CC(C(O)=O)=C(C=C1C(O)=O)C(=O)C1=CC=CC=C1
Synonyms	Benzophenone-2,4,5-tricarboxylic Acid, 135989-69-4, 2,4,5-Tricarboxybenzophenone, 5-benzoylbenzene-1,2,4-tricarboxylic Acid, BENZOPHENONE-2,4,5-TRICARBOXYLICACID, SCHEMBL15793780, DTXSID60468021, CS-B1288, KS-000016KF, MFCD08276278, ZINC44069231, 2,4,5-benzophenone tricarboxylic acid, AKOS025401996, AC-27910, CS-15088, B2421, CID11522523,

Complexity	507
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	314.043g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	314.249g/mol
Monoisotopic Mass	314.043g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	129A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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

Lot Number