Methyl 6-chloro-7-hydroxychroman-4-carboxylate
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Basic information
- Standard SMILES
COC(=O)C1CCOc2cc(O)c(Cl)cc21- InChIKey
YYYYVLAVEMRRBU-UHFFFAOYSA-N- Molecular formula
- C11H11ClO4
- Average molar mass
- 242.65 g/mol
- Monoisotopic mass
- 242.0345865
Names & identifiers
- Preferred name
- Methyl 6-chloro-7-hydroxychroman-4-carboxylate
- IUPAC
- methyl 6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylate
Names & synonyms
SCHEMBL1569835YYYYVLAVEMRRBU-UHFFFAOYSA-NDB-431591Methyl 6-chloro-7-hydroxychroman-4-carboxylateMethyl 6-chloro-3,4-dihydro-7-hydroxy-2H-1-benzopyran-4-carboxylate1269508-29-3
Database identifiers
- PubChem CID
- 67080353
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Related reactions
4 records
Compound notes
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