2,3-Dihydro-3-methyl-1,4-benzoxathiin-2-ol
Basic information
- CAS
109963-07-7- Standard SMILES
CC1Sc2ccccc2OC1O- InChIKey
GXWYBPTZQRVPRQ-UHFFFAOYSA-N- Molecular formula
- C9H10O2S
- Average molar mass
- 182.24 g/mol
- Monoisotopic mass
- 182.04015073
Names & identifiers
- Preferred name
- 2,3-Dihydro-3-methyl-1,4-benzoxathiin-2-ol
- IUPAC
- 3-methyl-2,3-dihydro-1,4-benzoxathiin-2-ol
Names & synonyms
DTXSID9012679352,3-Dihydro-3-methyl-1,4-benzoxathiin-2-ol3-Methyl-2,3-dihydro-1,4-benzoxathiin-2-ol109963-07-7
Database identifiers
- CAS
109963-07-7- PubChem CID
- 85555504
- DTXSID
DTXSID901267935
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
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Compound notes
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