Basic information
- CAS
57543-65-4- Standard SMILES
CCOC(=O)C1=Cc2cc(OC)ccc2OC1C- InChIKey
OCUVRKHZRBZRSI-UHFFFAOYSA-N- Molecular formula
- C14H16O4
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.10485899
Names & identifiers
- Preferred name
- Ethyl 6-methoxy-2-methyl-2H-1-benzopyran-3-carboxylate
- IUPAC
- ethyl 6-methoxy-2-methyl-2H-chromene-3-carboxylate
- English name
- 6-Methoxy-2-methyl-2H-1-benzopyran-3-carboxylic acid ethyl ester
- Molecular formula
- C14H16O4
- Molecular weight
- 248.27
Names & synonyms
57543-65-4Ethyl 6-methoxy-2-methyl-2H-1-benzopyran-3-carboxylateDTXSID50973098RefChem:1084997DTXCID901400555ethyl 6-methoxy-2-methyl-2H-chromene-3-carboxylate6-Methoxy-2-methyl-2H-1-benzopyran-3-carboxylic acid ethyl ester2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 6-METHOXY-2-METHYL-, ETHYL ESTERDB-318138
Database identifiers
- CAS
57543-65-4- PubChem CID
- 42437
- DTXSID
DTXSID50973098- Nikkaji
- J87.892H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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