3'-Methylidenespiro(2,3-dihydro-1H-naphthalene-4,5'-oxolane)-2'-one
Basic information
- CAS
29043-96-7- Standard SMILES
C=C1CC2(CCCc3ccccc32)OC1=O- InChIKey
ISIQOXGBFBNCCJ-UHFFFAOYSA-N- Molecular formula
- C14H14O2
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.09937969
Names & identifiers
- Preferred name
- 3'-Methylidenespiro(2,3-dihydro-1H-naphthalene-4,5'-oxolane)-2'-one
- IUPAC
- 3'-methylidenespiro[2,3-dihydro-1H-naphthalene-4,5'-oxolane]-2'-one
Names & synonyms
29043-96-7NSC3322653'-Methylidenespiro(2,3-dihydro-1H-naphthalene-4,5'-oxolane)-2'-oneCHEMBL8295NSC 332265NSC-332265
Database identifiers
- CAS
29043-96-7- PubChem CID
- 185671
- ChEMBL
CHEMBL8295- Nikkaji
- J566.372E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 334
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Compound notes
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