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Basic information
- Standard SMILES
CCOC(=O)Cc1c(C)c2ccc(O)cc2oc1=O- InChIKey
UNIGUELVFGIULR-UHFFFAOYSA-N- Molecular formula
- C14H14O5
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.08412354
Names & identifiers
- Preferred name
- Ethyl 2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-YL)acetate
- IUPAC
- ethyl 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
Names & synonyms
ETHYL 2-(7-HYDROXY-4-METHYL-2-OXO-2H-CHROMEN-3-YL)ACETATE5852-03-9SCHEMBL10955623UNIGUELVFGIULR-UHFFFAOYSA-NF973147-Hydroxy-4-methylcoumarin-3-acetic acid, ethyl ester
Database identifiers
- PubChem CID
- 20282952
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 412
Related reactions
3 records
Compound notes
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