Basic information
- CAS
5452-74-4- Standard SMILES
CC(=O)CC1CCCCCC1- InChIKey
DBJBBHFNZNOEHS-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.1357652
Names & identifiers
- Preferred name
- 1-Cycloheptylpropan-2-one
- IUPAC
- 1-cycloheptylpropan-2-one
- English name
- NSC18984
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
1-cycloheptylpropan-2-one5452-74-4CycloheptylactoneNSC189841-Cycloheptyl-2-propanoneSCHEMBL368048SCHEMBL28303128DTXSID00280885DBJBBHFNZNOEHS-UHFFFAOYSA-NMFCD24237199NSC 18984NSC-18984
Show more names
cycloheptyl-acetone2-Propanone, 1-cycloheptyl-
AKOS020761962SY496884EN300-1852246
Database identifiers
- CAS
5452-74-4- PubChem CID
- 227413
- DTXSID
DTXSID00280885
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 208.8 · 208.8±8.0 °C(Predicted)
- Density
- 0.879 · 0.879±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
2 records
Compound notes
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