3-Chloro-5,6,7,8-tetrahydrochromen-2-one
Basic information
- CAS
87937-61-9- Standard SMILES
O=c1oc2c(cc1Cl)CCCC2- InChIKey
LLSZHPZQQXEKCF-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2
- Average molar mass
- 184.62 g/mol
- Monoisotopic mass
- 184.0291072
Names & identifiers
- Preferred name
- 3-Chloro-5,6,7,8-tetrahydrochromen-2-one
- IUPAC
- 3-chloro-5,6,7,8-tetrahydrochromen-2-one
Names & synonyms
3-chloro-5,6,7,8-tetrahydrochromen-2-one87937-61-9NSC368002DTXSID60321026NSC-368002DS-0011473-Chloro-5,6,7,8-tetrahydro-2H-1-benzopyran-2-one
Database identifiers
- CAS
87937-61-9- PubChem CID
- 339852
- DTXSID
DTXSID60321026
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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