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4,4'-diamino-[1,1'-biphenyl]-2,2'-dicarboxylic acid

4,4'-diamino-[1,1'-biphenyl]-2,2'-dicarboxylic acid

CAS: 17557-76-5

Formula: C14H12N2O4

SMILES: NC1=CC=C(C(=C1)C(O)=O)C1=CC=C(N)C=C1C(O)=O

IUPAC: 4,4'-diamino-[1,1'-biphenyl]-2,2'-dicarboxylic acid

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)

Composition: C (61.76%), H (4.44%), N (10.29%), O (23.51%)

Molar Mass: 272.26

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 272.079706874
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey MKHDOBRSMHTMOK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.11
Topological Polar Surface Area 126.64
Polarizability 28.21
Ring Count 2
Rotatable Bond Count 3

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