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Basic information
- CAS
72995-13-2- Standard SMILES
CS(=O)(=O)Oc1cccc2c1CCC(=O)N2- InChIKey
XHWOXLCXKDATQS-UHFFFAOYSA-N- Molecular formula
- C10H11NO4S
- Average molar mass
- 241.27 g/mol
- Monoisotopic mass
- 241.04087883
Names & identifiers
- Preferred name
- 2-Oxo-1,2,3,4-tetrahydroquinolin-5-yl methanesulfonate
- IUPAC
- (2-oxo-3,4-dihydro-1H-quinolin-5-yl) methanesulfonate
Names & synonyms
72995-13-22-Oxo-1,2,3,4-tetrahydroquinolin-5-yl methanesulfonateSCHEMBL11169736DTXSID10512548XHWOXLCXKDATQS-UHFFFAOYSA-N5-methanesulfonyloxy-3,4-dihydrocarbostyril
Database identifiers
- CAS
72995-13-2- PubChem CID
- 12899676
- DTXSID
DTXSID10512548
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 373
Related reactions
4 records
Compound notes
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