Basic information
- CAS
4197-70-0- Standard SMILES
CCCCC1=CC(=O)C=CC1=O- InChIKey
AMQCWFKKFGSNNA-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 2-Butyl-p-benzoquinone
- IUPAC
- 2-butylcyclohexa-2,5-diene-1,4-dione
- English name
- 2-butyl-p-benzoquinone
- Molecular formula
- C10H12O2
- Molecular weight
- 164.20108
Names & synonyms
2-Butyl-p-benzoquinoneEINECS 224-089-2X4VXS87VWRDTXSID701947882-BUTYL-2,5-CYCLOHEXADIENE-1,4-DIONEP-BENZOQUINONE, 2-BUTYL-2,5-CYCLOHEXADIENE-1,4-DIONE, 2-BUTYL-RefChem:86042DTXCID10117279224-089-24197-70-02-butylcyclohexa-2,5-diene-1,4-dione
Show more names
n-Butylquinone-1,4
butyl-p-benzoquinoneUNII-X4VXS87VWRSCHEMBL439163AMQCWFKKFGSNNA-UHFFFAOYSA-NNS00031077
Database identifiers
- CAS
4197-70-0- PubChem CID
- 77863
- DTXSID
DTXSID70194788- UNII
- X4VXS87VWR
- EC Number
- 224-089-2
- Nikkaji
- J224.991J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- FDA UNII
- 4 VXS87VWR · X4VXS87VWR
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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