Basic information
- CAS
7180-61-2- Standard SMILES
COC1=CC(=O)CC1C- InChIKey
XPIDVFODBVIXGV-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- 3-Methoxy-4-methyl-2-cyclopenten-1-one
- IUPAC
- 3-methoxy-4-methylcyclopent-2-en-1-one
- English name
- 3-Methoxy-4-methyl-2-cyclopenten-1-one
- Molecular formula
- C7H10O2
- Molecular weight
- 126.15
Names & synonyms
3-Methoxy-4-methyl-2-cyclopenten-1-one7180-61-2DTXSID70341578RefChem:280399DTXCID902926593-methoxy-4-methylcyclopent-2-en-1-one2-Cyclopenten-1-one, 3-methoxy-4-methyl-XPIDVFODBVIXGV-UHFFFAOYSA-N3-Methoxy-4-methyl-2-cyclopenten-1-one #
Database identifiers
- CAS
7180-61-2- PubChem CID
- 574103
- DTXSID
DTXSID70341578- Nikkaji
- J129.866F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Boiling point
- 218.5 · 218.5±29.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…