Basic information
- CAS
63517-54-4- Standard SMILES
O=CC1=CCCC2(C1)OCCO2- InChIKey
YJFXAKDYLWSIIN-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 1,4-Dioxaspiro[4.5]dec-7-ene-7-carbaldehyde
- IUPAC
- 1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde
Names & synonyms
1,4-dioxaspiro[4.5]dec-7-ene-7-carbaldehyde63517-54-41,4-Dioxaspiro[4.5]dec-7-ene-7-carboxaldehydeNSC620520CHEMBL1987500DTXSID80326891NSC-620520NCI60_006065EN300-7902079
Database identifiers
- CAS
63517-54-4- PubChem CID
- 359537
- DTXSID
DTXSID80326891- ChEMBL
CHEMBL1987500
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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