AG00I4HM

22803-05-0 | [1,1'-Biphenyl]-3,3',4,4'-tetracarboxylic acid

AG00I4HM

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CAS Number	22803-05-0
Catalog Number	AG00I4HM(AGN-PC-0JW0CJ)
Chemical Name	[1,1'-Biphenyl]-3,3',4,4'-tetracarboxylic acid
IUPAC Name	4-(3,4-dicarboxyphenyl)phthalic acid
InChI	InChI=1S/C16H10O8/c17-13(18)9-3-1-7(5-11(9)15(21)22)8-2-4-10(14(19)20)12(6-8)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChI Key	LFBALUPVVFCEPA-UHFFFAOYSA-N
MDL Number	MFCD00496632
Molecular Formula	C16H10O8
Molecular Weight	330.2458
SMILES	OC(=O)C1=CC=C(C=C1C(O)=O)C1=CC=C(C(O)=O)C(=C1)C(O)=O
Synonyms	22803-05-0, 3,3',4,4'-Biphenyltetracarboxylic acid, [1,1'-Biphenyl]-3,3',4,4'-tetracarboxylic acid, biphenyl-3,3',4,4'-tetracarboxylic acid, 3,3',4,4'-Biphenyl tetracarboxylic acid, 4-(3,4-dicarboxyphenyl)phthalic Acid, AC1LFSXU, 4,4'-Biphthalic acid, AC1Q5TOD, Oprea1_718423, SCHEMBL33365, Jsp004602, KS-00000HYH, DTXSID60353943, LFBALUPVVFCEPA-UHFFFAOYSA-N, HMS1607C04, ZINC225924, BBL018983, MFCD00496632, STL196659, AKOS001483285, MCULE-7958482046, 3,3 inverted exclamation mark ,4,4 inverted exclamation mark -Biphenyl tetracarboxylic acid, ACM22803050, 3,3',4,4' biphenyltetracarboxylic acid, 3,4,3',4'-biphenyltetracarboxylic acid, AC-18961, AJ-18061, AK111093, AS-15093, N957, AB0016160, AX8016222, DB-017828, CS-0060343, EU-0000097, FT-0657451, H2562, 1,1'-biphenyl-3,3',4,4'-tetracarboxylic acid, 803B050, SR-01000078317, I01-1948, SR-01000078317-1, C16H10O8, AR-1H9878, CID759394, ACN-052711, 3,3',4,4'-Biphenyltetracarboxylicacid, 3,3?4,4?-Biphenyl tetracarboxylic acid, [1,1'-Biphenyl]-3,3',4,4'-tetracarboxylicacid, 2293-21-2,

Complexity	494
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	330.038g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	330.248g/mol
Monoisotopic Mass	330.038g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	149A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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