Ethyl Chroman-2-carboxylate
Basic information
- Standard SMILES
CCOC(=O)C1CCc2ccccc2O1- InChIKey
PSOZUQKKUGXCEN-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- Ethyl Chroman-2-carboxylate
- IUPAC
- ethyl 3,4-dihydro-2H-chromene-2-carboxylate
Names & synonyms
24698-77-9Ethyl Chroman-2-carboxylate2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-, ethyl esterethyl chromane-2-carboxylateMFCD08703633ETHYL 3,4-DIHYDRO-2H-1-BENZOPYRAN-2-CARBOXYLATEethyl 3,4-dihydro-2H-chromene-2-carboxylatechroman-2-carboxylic acid ethyl esterEthyl 2-chromanecarboxylateEthylChroman-2-carboxylateSCHEMBL7636320PSOZUQKKUGXCEN-UHFFFAOYSA-N
Show more names
KAA31490ZAA69877AKOS015838758AC-4774AS-71017SY123063DB-013068CS-0035904
Database identifiers
- PubChem CID
- 12909094
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Related reactions
3 records
Compound notes
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