Nc1cccc(C(=O)O)c1N
CAS: 603-81-6
Name: 2,3-diaminobenzoic acid
SMILES: Nc1cccc(C(=O)O)c1N

Molecular Processing

Molecular formula
C7H8N2O2
Molecular weight
152.15
Exact mass
152.0586
XLogP
0.55
TPSA
89.34
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
42.23

Supplementary Information

InChIKey: KKTUQAYCCLMNOA-UHFFFAOYSA-N
Synonyme
2,3-Diaminobenzoic acid603-81-6RefChem:441950624-709-5Diaminobenzoic acidBenzoic acid, diamino-27576-04-1MFCD001378183-Carboxy-1,2-diaminobenzene2,3-diamino benzoic acidSCHEMBL73593DTXSID2067321SCHEMBL307972652,3-Diaminobenzoic acid, 95%KKTUQAYCCLMNOA-UHFFFAOYSA-NSBB014432STK689866AKOS005151964FD03094GS-6682SB75728AC-23068BP-21351SY017832DB-050515ST4134161CS-0119510EN300-67278F043790
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