Basic information
- Standard SMILES
COc1ccc2c(c1)OC(=O)CC2- InChIKey
JHGVLAHJJNKSAW-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Names & identifiers
- Preferred name
- 7-Methoxychroman-2-one
- IUPAC
- 7-methoxy-3,4-dihydrochromen-2-one
Names & synonyms
7-Methoxychroman-2-one20921-02-27-methoxychromanoneMFCD081440672H-1-Benzopyran-2-one, 3,4-dihydro-7-methoxy-7-Methoxy-3,4-dihydrocoumarin7-Methoxychromanon7-Methoxy-chroman-2-oneSCHEMBL58619597-Methoxychromanone, AldrichCPRSCHEMBL31547903SCHEMBL31547904
Show more names
SCHEMBL31547905DTXSID0013719617-methoxy-3,4-dihydrochromen-2-oneAKOS006284488AS-92096SY364495CS-0436535G61530
Database identifiers
- PubChem CID
- 12389837
- DTXSID
DTXSID001371961- Nikkaji
- J1.454.396A
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 202
Related reactions
3 records
Linked notes
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