Basic information
- CAS
102612-67-9- Standard SMILES
CCOC(=O)COc1ccc2c(=O)c(C)c(C)oc2c1- InChIKey
MHDFGLTZSKLWQN-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-7-yl)oxy)-, ethyl ester
- IUPAC
- ethyl 2-(2,3-dimethyl-4-oxochromen-7-yl)oxyacetate
Names & synonyms
BRN 0248676REC 1-0011102612-67-9ACETIC ACID, ((2,3-DIMETHYL-4-OXO-4H-1-BENZOPYRAN-7-YL)OXY)-, ETHYL ESTER2,3-Dimetilcromon-7-ossiacetato di etile [Italian]2,3-Dimetilcromon-7-ossiacetato di etileDTXSID60145360((2,3-Dimethyl-4-oxo-4H-1-benzopyran-7-yl)oxy)acetic acid ethyl ester4-18-00-00374 (Beilstein Handbook Reference)RefChem:315888DTXCID9067851Ethyl [(2,3-dimethyl-4-oxo-4H-1-benzopyran-7-yl)oxy]acetate
Database identifiers
- CAS
102612-67-9- PubChem CID
- 59683
- DTXSID
DTXSID60145360- Nikkaji
- J86.169C
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
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