6-Ethylcoumarin
Basic information
- CAS
28045-77-4- Standard SMILES
CCc1ccc2oc(=O)ccc2c1- InChIKey
SBZIILXFKTXDCJ-UHFFFAOYSA-N- Molecular formula
- C11H10O2
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.06807956
Names & identifiers
- Preferred name
- 6-Ethylcoumarin
- IUPAC
- 6-ethylchromen-2-one
- English name
- 6-ethylcoumarin
- Molecular formula
- C11H10O2
- Molecular weight
- 174.2
Names & synonyms
6-Ethylcoumarin6-ethyl-2h-chromen-2-one28045-77-42642-13-96-ethylchromen-2-one2H-1-Benzopyran-2-one, 6-ethyl-6-Ethyl-2H-1-benzopyran-2-oneAI3-08535NSC-74487NSC74487EINECS 248-796-0Coumarin, 6-ethyl-
Show more names
L4SG2LB3USSCHEMBL8750141CHEMBL1977442DTXSID40182319SBZIILXFKTXDCJ-UHFFFAOYSA-NNSC 74487NCI60_041631NS00028410
Database identifiers
- CAS
28045-77-4- PubChem CID
- 96435
- DTXSID
DTXSID40182319- ChEMBL
CHEMBL1977442- UNII
- L4SG2LB3US
- EC Number
- 248-796-0
- Nikkaji
- J250.636J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- LogP
- 2.38 · 2.380 (est)
- FDA UNII
- 4 SG2LB3US · L4SG2LB3US
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…