Basic information
- CAS
292043-69-7- Standard SMILES
CC1(C)C=C(C(=O)O)C(=O)C1- InChIKey
DWSHJQQMPNDZGA-UHFFFAOYSA-N- Molecular formula
- C8H10O3
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.06299418
Names & identifiers
- Preferred name
- 3,3-Dimethyl-5-oxocyclopent-1-ene-1-carboxylic acid
- IUPAC
- 3,3-dimethyl-5-oxocyclopentene-1-carboxylic acid
- English name
- 1-Cyclopentene-1-carboxylicacid,3,3-dimethyl-5-oxo-(9CI)
- Molecular formula
- C8H10O3
- Molecular weight
- 154.16
Names & synonyms
292043-69-73,3-Dimethyl-5-oxocyclopent-1-ene-1-carboxylic acidSCHEMBL31534653DTXSID606657101-Cyclopentene-1-carboxylic acid, 3,3-dimethyl-5-oxo-1-Cyclopentene-1-carboxylicacid,3,3-dimethyl-5-oxo-(9CI)
Database identifiers
- CAS
292043-69-7- PubChem CID
- 45084792
- DTXSID
DTXSID60665710
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 295.5 · 295.5±39.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- pka
- 2.87 · 2.87±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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