Product Name
3,3'-Azodibenzoic acid
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
3,3-Azodibenzoic Acid, 621-18-1, Benzoic acid, 3,3-azobis-, ACMC-1BC3P, AC1LB824, CTK2F2273, CTK7I8586, Azobenzene-3,3-dicarboxylic Acid, AG-G-27548, AG-J-47015, 3-[(3-carboxyphenyl)diazenyl]benzoic acid, 3,3-(e)-diazene-1,2-diyldibenzoic acid, AZOBENZENE-3,3-DICARBOXYLIC ACID;AZONENZENE-3,3-DICARBOXYLIC ACID;3,3-AZODIBENZOIC ACID;AZOBENZENE-3,
IUPAC Name
3-[(3-carboxyphenyl)diazenyl]benzoic acid
Molecular Formula
C14H10N2O4
Canonical SMILES
C1=CC(=CC(=C1)N=NC2=CC=CC(=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C14H10N2O4/c17-13(18)9-3-1-5-11(7-9)15-16-12-6-2-4-10(8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)
InChI Key
QBVIXYABUQQSRY-UHFFFAOYSA-N
Boiling Point
561.434ºC at 760 mmHg
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
270.06405680g/mol
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Monoisotopic Mass
270.06405680g/mol
Topological Polar Surface Area
99.3Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0