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Basic information
- CAS
7180-62-3- Standard SMILES
COC1=C(C)C(=O)CC1=O- InChIKey
VHSDLZNCAMQPIG-UHFFFAOYSA-N- Molecular formula
- C7H8O3
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.04734411
Names & identifiers
- Preferred name
- 4-Methoxy-5-methyl-4-cyclopenten-1,3-dione
- IUPAC
- 4-methoxy-5-methylcyclopent-4-ene-1,3-dione
- English name
- 4-Methoxy-5-methyl-4-cyclopentene-1,3-dione
- Molecular formula
- C7H8O3
- Molecular weight
- 140.14
Names & synonyms
4-METHOXY-5-METHYL-4-CYCLOPENTEN-1,3-DIONE7180-62-3DTXSID30222056RefChem:293882DTXCID301445474-methoxy-5-methylcyclopent-4-ene-1,3-dione4-Cyclopentene-1,3-dione, 4-methoxy-5-methyl-VHSDLZNCAMQPIG-UHFFFAOYSA-N4-Methoxy-5-methyl-4-cyclopentene-1,3-dione #4-Methoxy-5-methyl-4-cyclopentene-1,3-dione
Database identifiers
- CAS
7180-62-3- PubChem CID
- 23571
- DTXSID
DTXSID30222056- Nikkaji
- J110.553A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 112 °C · 112 °C
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 6 · 6+-.0.60(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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