Basic information
- CAS
59338-91-9- Standard SMILES
COc1cc(N)c(N)cc1C(=O)O- InChIKey
LYFZXIXVTGAHSZ-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914218
Names & identifiers
- Preferred name
- 4,5-Diamino-o-anisic acid
- IUPAC
- 4,5-diamino-2-methoxybenzoic acid
- English name
- 4,5-diamino-o-anisic acid
- Molecular formula
- C8H10N2O3
- Molecular weight
- 182.18
Names & synonyms
4,5-Diamino-o-anisic acid4,5-diamino-2-methoxybenzoic acid59338-91-92-methoxy-4,5-diaminobenzoic acidEINECS 261-708-5SCHEMBL1965781SCHEMBL31634578DTXSID90974761DB-228945NS00055520EN300-218841
Database identifiers
- CAS
59338-91-9- PubChem CID
- 101017
- DTXSID
DTXSID90974761- EC Number
- 261-708-5
- Nikkaji
- J308.666F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Chemistry & industry
Suppliers2 total
苏州亚衍医药科技有限公司17715136450 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
5 records
Compound notes
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