Coumarin, 3-propyl-
Basic information
- CAS
66898-40-6- Standard SMILES
CCCc1cc2ccccc2oc1=O- InChIKey
OBYARYNRNPJPHW-UHFFFAOYSA-N- Molecular formula
- C12H12O2
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.08372962
Names & identifiers
- Preferred name
- Coumarin, 3-propyl-
- IUPAC
- 3-propylchromen-2-one
Names & synonyms
3-PropylcoumarinCOUMARIN, 3-PROPYL-66898-40-63-Propyl-2H-1-benzopyran-2-oneBRN 0136651DTXSID402170394-17-00-05113 (Beilstein Handbook Reference)RefChem:334421DTXCID901395303-Propyl-2H-chromen-2-onepropyl coumarinSCHEMBL293739
Show more names
SCHEMBL11092927
Database identifiers
- CAS
66898-40-6- PubChem CID
- 48227
- DTXSID
DTXSID40217039
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
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Compound notes
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