4,4a,5,6-Tetrahydro-2(3H)-naphthalenone
Basic information
- CAS
34545-87-4- Standard SMILES
O=C1C=C2C=CCCC2CC1- InChIKey
DXIKCYRJHPXRGV-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- 4,4a,5,6-Tetrahydro-2(3H)-naphthalenone
- IUPAC
- 4,4a,5,6-tetrahydro-3H-naphthalen-2-one
Names & synonyms
4,4a,5,6-Tetrahydro-2(3H)-naphthalenone34545-87-4DTXSID10298810RefChem:285077DTXCID502499474,4a,5,6-Tetrahydronaphthalen-2(3H)-oneNSC126325SCHEMBL10434273NSC-1263252(3H)-Naphthalenone, 4,4a,5,6-tetrahydro-4,4a,5,6-Tetrahydro-2(3H)-naphthalenone #
Database identifiers
- CAS
34545-87-4- PubChem CID
- 277448
- DTXSID
DTXSID10298810
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 235
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Related reactions
1 records
Compound notes
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