1H-2-Benzopyran-1-one, 3-pentyl-
Basic information
- CAS
106180-94-3- Standard SMILES
CCCCCc1cc2ccccc2c(=O)o1- InChIKey
NRWIDUQJBDCLFR-UHFFFAOYSA-N- Molecular formula
- C14H16O2
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.11502975
Names & identifiers
- Preferred name
- 1H-2-Benzopyran-1-one, 3-pentyl-
- IUPAC
- 3-pentylisochromen-1-one
Names & synonyms
1H-2-Benzopyran-1-one, 3-pentyl-106180-94-3DTXSID30443087RefChem:237300DTXCID403939083-pentyl-1h-isochromen-1-one3-Pentyl-1H-2-benzopyran-1-oneSCHEMBL292962SCHEMBL849667
Database identifiers
- CAS
106180-94-3- PubChem CID
- 10656364
- DTXSID
DTXSID30443087- Nikkaji
- J986.224B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…