Basic information
- CAS
58977-36-9- Standard SMILES
CCC(=O)CCCc1ccccc1- InChIKey
VYHIWVYNVGQASJ-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 6-Phenylhexan-3-one
- IUPAC
- 6-phenylhexan-3-one
- English name
- 6-phenylhexan-3-one
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
6-Phenylhexan-3-one6-Phenyl-3-hexanone3-Hexanone, 6-phenyl-ethyl 3-phenylpropyl ketone2GU8ASY2TFEINECS 261-531-3DTXSID20207716RefChem:105233DTXCID7013020758977-36-9MFCD11934735UNII-2GU8ASY2TF
Show more names
1-Phenylhexane-4-one
SCHEMBL3642535SCHEMBL17667746AKOS011913490DB-284311NS00034052F393433
Database identifiers
- CAS
58977-36-9- PubChem CID
- 100910
- DTXSID
DTXSID20207716- UNII
- 2GU8ASY2TF
- EC Number
- 261-531-3
- Nikkaji
- J308.580E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- FDA UNII
- 2 GU8ASY2TF · 2GU8ASY2TF
Chemistry & industry
Suppliers1 total
RIEKE[email protected]
Related reactions
6 records
Compound notes
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