Amino(phenyl)methanesulfonic acid
Basic information
- CAS
2627-40-9- Standard SMILES
NC(c1ccccc1)S(=O)(=O)O- InChIKey
SFQYPJWMDCFIGD-UHFFFAOYSA-N- Molecular formula
- C7H9NO3S
- Average molar mass
- 187.22 g/mol
- Monoisotopic mass
- 187.03031432
Names & identifiers
- Preferred name
- Amino(phenyl)methanesulfonic acid
- IUPAC
- amino(phenyl)methanesulfonic acid
- English name
- Benzenemethanesulfonicacid, a-amino-
- Molecular formula
- C7H9NO3S
- Molecular weight
- 187.21626
Names & synonyms
amino(phenyl)methanesulfonic acidNSC4098152627-40-9SCHEMBL332222SCHEMBL10434416SCHEMBL28224518DTXSID40325365NSC-409815.alpha.-Toluenesulfonic acid, .alpha.-amino-Benzenemethanesulfonicacid, a-amino-
Database identifiers
- CAS
2627-40-9- PubChem CID
- 349907
- DTXSID
DTXSID40325365
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 226
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Compound notes
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