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Basic information
- Standard SMILES
O=Cc1cc(Cl)ccc1OC1CCC2(CC1)OCCO2- InChIKey
ZVSVBVPNXRFLOM-UHFFFAOYSA-N- Molecular formula
- C15H17ClO4
- Average molar mass
- 296.74 g/mol
- Monoisotopic mass
- 296.0815367
Names & identifiers
- Preferred name
- 5-Chloro-2-(1,4-dioxa-spiro[4.5]dec-8-yloxy)-benzaldehyde
- IUPAC
- 5-chloro-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzaldehyde
Names & synonyms
SCHEMBL275938ZVSVBVPNXRFLOM-UHFFFAOYSA-N5-chloro-2-(1,4-dioxa-spiro[4.5]dec-8-yloxy)-benzaldehyde
Database identifiers
- PubChem CID
- 57743296
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Related reactions
2 records
Compound notes
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