Basic information
- CAS
72914-10-4- Standard SMILES
CCOC(=O)C1CC(O)c2cc(Cl)ccc2O1- InChIKey
UWQQUFIYYKCZGB-UHFFFAOYSA-N- Molecular formula
- C12H13ClO4
- Average molar mass
- 256.68 g/mol
- Monoisotopic mass
- 256.0502366
Overview
structure given in first source; RN given refers to parent cpd with unspecified isomeric designation
Names & identifiers
- Preferred name
- Ethyl-6-chloro-4-hydroxychroman-2-carboxylate
- IUPAC
- ethyl 6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate
- English name
- ethyl-6-chloro-4-hydroxychroman-2-carboxylate
- Molecular weight
- 0
Names & synonyms
ECHCC72914-10-4Ethyl-6-chloro-4-hydroxychroman-2-carboxylate6-Chloro-4-hydroxychroman-2-carboxylic-acid ethyl ester2H-1-Benzopyran-2-carboxylic acid, 6-chloro-3,4-dihydro-4-hydroxy-, ethyl esterRefChem:139089DTXSID70993697ETHYL 6-CHLORO-4-HYDROXY-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-CARBOXYLATE
Database identifiers
- CAS
72914-10-4- PubChem CID
- 175267
- DTXSID
DTXSID70993697
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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