Basic information
- CAS
102585-48-8- Standard SMILES
CCOC(=O)COc1ccc2oc(C)c(C)c(=O)c2c1- InChIKey
HIOMRFQRXYMQIK-UHFFFAOYSA-N- Molecular formula
- C15H16O5
- Average molar mass
- 276.28 g/mol
- Monoisotopic mass
- 276.09977361
Names & identifiers
- Preferred name
- Acetic acid, ((2,3-dimethyl-4-oxo-4H-1-benzopyran-6-yl)oxy)-, ethyl ester
- IUPAC
- ethyl 2-(2,3-dimethyl-4-oxochromen-6-yl)oxyacetate
Names & synonyms
BRN 0248022REC 1-0179102585-48-82,3-Dimetilcromon-6-ossiacetato di etile [Italian]((2,3-Dimethyl-4-oxo-4H-1-benzopyran-6-yl)oxy)acetic acid ethyl ester2,3-Dimetilcromon-6-ossiacetato di etile4-18-00-00373 (Beilstein Handbook Reference)ACETIC ACID, ((2,3-DIMETHYL-4-OXO-4H-1-BENZOPYRAN-6-YL)OXY)-, ETHYL ESTERRefChem:315887DTXSID10907859Ethyl [(2,3-dimethyl-4-oxo-4H-1-benzopyran-6-yl)oxy]acetate
Database identifiers
- CAS
102585-48-8- PubChem CID
- 59600
- DTXSID
DTXSID10907859- Nikkaji
- J86.168E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…