Basic information
- CAS
120402-76-8- Standard SMILES
Nc1ccc2c(CS(=O)(=O)O)cc(=O)oc2c1- InChIKey
MBVZHZLNTHHHLH-UHFFFAOYSA-N- Molecular formula
- C10H9NO5S
- Average molar mass
- 255.25 g/mol
- Monoisotopic mass
- 255.02014339
Overview
structure given in first source
Names & identifiers
- Preferred name
- 7-Aminocoumarin-4-methanesulfonic acid
- IUPAC
- (7-amino-2-oxochromen-4-yl)methanesulfonic acid
- English name
- (7-amino-2-oxo-chromen-4-yl)methanesulfonic acid
- Molecular formula
- C10H9NO5S
- Molecular weight
- 255.25
Names & synonyms
120402-76-87-Aminocoumarin-4-methanesulfonic acid7-AcmsDTXSID80152854RefChem:105792DTXCID7075345(7-Amino-2-oxo-2H-chromen-4-yl)methanesulfonic acidSCHEMBL3363891(7-Amino-2-oxo-2H-1-benzopyran-4-yl)methanesulfonic acid(7-amino-2-oxo-chromen-4-yl)methanesulfonic acid2H-1-Benzopyran-4-methanesulfonic acid, 7-amino-2-oxo-
Database identifiers
- CAS
120402-76-8- PubChem CID
- 149371
- DTXSID
DTXSID80152854- Nikkaji
- J1.357.318B
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 450
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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