4-methyl-2-oxo-2H-chromen-7-yl methanesulfonate
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Basic information
- CAS
62113-92-2- Standard SMILES
Cc1cc(=O)oc2cc(OS(C)(=O)=O)ccc12- InChIKey
CYBDGWFDZXOFSR-UHFFFAOYSA-N- Molecular formula
- C11H10O5S
- Average molar mass
- 254.26 g/mol
- Monoisotopic mass
- 254.02489459
Names & identifiers
- Preferred name
- 4-methyl-2-oxo-2H-chromen-7-yl methanesulfonate
- IUPAC
- (4-methyl-2-oxochromen-7-yl) methanesulfonate
Names & synonyms
4-methyl-2-oxo-2H-chromen-7-yl methanesulfonate62113-92-2MLS000766233SMR000269153(4-methyl-2-oxochromen-7-yl) methanesulfonateNSC110899MLS000681495CHEMBL1597104SCHEMBL10850187DTXSID60977709HMS2553A16AKOS005108007
Show more names
MS-2647NSC-110899NCI60_0002514-Methyl-7-methylsulfonyloxy-chromen-2-oneDS-005452CS-0326852(4-methyl-2-oxo-chromen-7-yl) methanesulfonate4-methyl-2-oxo-2H-chromen-7-ylmethanesulfonate
Database identifiers
- CAS
62113-92-2- PubChem CID
- 269609
- DTXSID
DTXSID60977709- ChEMBL
CHEMBL1597104
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 445
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Compound notes
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