2,2a,3,4-Tetrahydroacenaphthylen-5(1h)-one
Basic information
- CAS
30098-38-5- Standard SMILES
O=C1CCC2CCc3cccc1c32- InChIKey
KEXODQAKDQJLQM-UHFFFAOYSA-N- Molecular formula
- C12H12O
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.088815
Names & identifiers
- Preferred name
- 2,2a,3,4-Tetrahydroacenaphthylen-5(1h)-one
- IUPAC
- 2,3,3a,4-tetrahydro-1H-acenaphthylen-5-one
Names & synonyms
30098-38-52,2a,3,4-tetrahydroacenaphthylen-5(1h)-oneNSC142608SCHEMBL3588169DTXSID00301362NSC-142608
Database identifiers
- CAS
30098-38-5- PubChem CID
- 285597
- DTXSID
DTXSID00301362
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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