Basic information
- CAS
1121-64-8- Standard SMILES
O=C1CC=CCCC1- InChIKey
PKTLJWUNHIKVME-UHFFFAOYSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Overview
3-Cyclohepten-1-one is a cyclic ketone.
Names & identifiers
- Preferred name
- 3-Cyclohepten-1-one
- IUPAC
- cyclohept-3-en-1-one
- English name
- 3-Cyclohepten-1-one
- Molecular weight
- 0
Names & synonyms
3-Cyclohepten-1-one3-Cycloheptenone1121-64-8DTXSID10149914RefChem:93577DTXCID8072405601-169-9PKTLJWUNHIKVME-UHFFFAOYSA-Ncyclohept-3-en-1-oneSCHEMBL446594SCHEMBL489453CHEBI:222636
Show more names
DB-241023
Database identifiers
- CAS
1121-64-8- PubChem CID
- 70722
- DTXSID
DTXSID10149914- ChEBI
CHEBI:222636- EC Number
- 601-169-9
- Nikkaji
- J80.163A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 114
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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