Basic information
- CAS
89-42-9- Standard SMILES
CNc1ccc(S(=O)(=O)O)cc1C(=O)O- InChIKey
JWNYMRVWULNVDD-UHFFFAOYSA-N- Molecular formula
- C8H9NO5S
- Average molar mass
- 231.23 g/mol
- Monoisotopic mass
- 231.02014356
Names & identifiers
- Preferred name
- 2-(Methylamino)-5-sulphobenzoic acid
- IUPAC
- 2-(methylamino)-5-sulfobenzoic acid
- English name
- 2-(methylamino)-5-sulphobenzoic acid
- Molecular formula
- C8H9NO5S
- Molecular weight
- 231.22576
Names & synonyms
2-(methylamino)-5-sulfobenzoic acid89-42-92-(Methylamino)-5-sulphobenzoic acidEINECS 201-907-6Benzoic acid, 2-(methylamino)-5-sulfo-7Y75ML85VWSCHEMBL9189150DTXSID60237471N-Methyl-5-sulfoanthranilic acidJWNYMRVWULNVDD-UHFFFAOYSA-N2-methylamino-5-sulphobenzoic acidAnthranilic acid, N-methyl-5-sulfo-
Show more names
Benzoicacid, 2-(methylamino)-5-sulfo-
NS00039330
Database identifiers
- CAS
89-42-9- PubChem CID
- 66641
- DTXSID
DTXSID60237471- UNII
- 7Y75ML85VW
- EC Number
- 201-907-6
- Nikkaji
- J182.064H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 333
Chemistry & industry
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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