Basic information
- CAS
335259-41-1- Standard SMILES
Cc1cccc(C2CCCC(=O)C2)c1- InChIKey
IHNGMFFDLQMEPV-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- 3-(3-Methylphenyl)cyclohexan-1-one
- IUPAC
- 3-(3-methylphenyl)cyclohexan-1-one
- English name
- 3-(m-Tolyl)cyclohexanone
- Molecular formula
- C13H16O
- Molecular weight
- 188.27
Names & synonyms
335259-41-13-(3-Methylphenyl)cyclohexan-1-oneDTXSID80734775RefChem:274230DTXCID606855193-(m-Tolyl)cyclohexanoneSCHEMBL3533670AKOS0138447453-(3-Methylphenyl)cyclohexanoneCyclohexanone, 3-(3-methylphenyl)-
Database identifiers
- CAS
335259-41-1- PubChem CID
- 64520134
- DTXSID
DTXSID80734775- Nikkaji
- J2.436.188H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 311.1 · 311.1±31.0 °C(Predicted)
- Density
- 1.026 · 1.026±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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