3,4-Diaminobenzoic acid;hydron
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Basic information
- CAS
33087-44-4- Standard SMILES
Nc1ccc(C(=O)O)cc1N.[H+].[H+]- InChIKey
HEMGYNNCNNODNX-UHFFFAOYSA-P- Molecular formula
- C7H10N2O2+2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422757
Names & identifiers
- Preferred name
- 3,4-Diaminobenzoic acid;hydron
- IUPAC
- 3,4-diaminobenzoic acid;hydron
- English name
- Benzoic acid, 3,4-diamino-, conjugate diacid (8CI)
- Molecular formula
- C7H10N2O2+2
- Molecular weight
- 154.1665
Names & synonyms
Benzoic acid, 3,4-diamino-, conjugate diacid (8CI)
Database identifiers
- CAS
33087-44-4- PubChem CID
- 131852501
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 2
- Complexity
- 161
Related reactions
0 records
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Compound notes
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