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4,4-Diaminobiphenyl-2,2-dicarboxylic acid

Catalog Number
ACM17557765
CAS Number
17557-76-5
Product Name
4,4-Diaminobiphenyl-2,2-dicarboxylic acid
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
Synonyms
4,4'-DIAMINOBIPHENYL-2,2'-DICARBOXYLIC ACID
IUPAC Name
5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid
Molecular Weight
272.26g/mol
Molecular Formula
C14H12N2O4
Canonical SMILES
C1=CC(=C(C=C1N)C(=O)O)C2=C(C=C(C=C2)N)C(=O)O
InChI
InChI=1S/C14H12N2O4/c15-7-1-3-9(11(5-7)13(17)18)10-4-2-8(16)6-12(10)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20)
InChI Key
MKHDOBRSMHTMOK-UHFFFAOYSA-N
Complexity
351
Covalently-Bonded Unit Count
1
Exact Mass
272.079707g/mol
Formal Charge
0
Heavy Atom Count
20
Monoisotopic Mass
272.079707g/mol
Rotatable Bond Count
3
XLogP3
0.7
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