Basic information
- CAS
4385-59-5- Standard SMILES
CC1OC(=O)Cc2ccccc21- InChIKey
WKHHBFNFYXCOPO-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one
- IUPAC
- 1-methyl-1,4-dihydroisochromen-3-one
Names & synonyms
4385-59-5DTXSID809631291-Methyl-1,4-dihydro-3H-2-benzopyran-3-oneRefChem:1055721DTXCID4013908981-Methyl-3-isochromanoneBRN 43903201,4-Dihydro-1-methyl-3H-2-benzopyran-3-one3H-2-Benzopyran-3-one, 1,4-dihydro-1-methyl-SCHEMBL2690138
Database identifiers
- CAS
4385-59-5- PubChem CID
- 199549
- DTXSID
DTXSID80963129- Nikkaji
- J3.721.343H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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