Basic information
- CAS
4090-69-1- Standard SMILES
COc1cc2ccccc2c(=O)o1- InChIKey
QXNIYYUDOBBOTC-UHFFFAOYSA-N- Molecular formula
- C10H8O3
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.04734411
Names & identifiers
- Preferred name
- 3-Methoxy-1H-2-benzopyran-1-one
- IUPAC
- 3-methoxyisochromen-1-one
- English name
- 3-METHOXY-1H-ISOCHROMEN-1-ONE
- Molecular formula
- C10H8O3
- Molecular weight
- 0
Names & synonyms
4090-69-1DTXSID104952863-Methoxy-1H-2-benzopyran-1-oneRefChem:280322DTXCID104460963-METHOXY-1H-ISOCHROMEN-1-ONEmethoxyisocoumarinSCHEMBL14690422AKOS006305597
Database identifiers
- CAS
4090-69-1- PubChem CID
- 12378566
- DTXSID
DTXSID10495286
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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