4-aminobenzene-1,2-dicarboxylic acid

4-aminobenzene-1,2-dicarboxylic acid

CAS: 5434-21-9

Formula: C8H7NO4

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

IUPAC: 4-aminobenzene-1,2-dicarboxylic acid

InChI: InChI=1S/C8H7NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)

Composition: C (53.04%), H (3.90%), N (7.73%), O (35.33%)

Molar Mass: 181.147

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.037507709
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	OXSANYRLJHSQEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.27
Topological Polar Surface Area	100.62
Polarizability	16.26
Ring Count	1
Rotatable Bond Count	2

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