Basic information
- CAS
69487-31-6- Standard SMILES
CCC(C)=O.CCCC(C)=O- InChIKey
QZUNEQNSDLPXCA-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- Cavilax
- IUPAC
- butan-2-one;pentan-2-one
- English name
- Cavilax
- Molecular formula
- C9H18O2
- Molecular weight
- 158.23802
Names & synonyms
Cavilax69487-31-6DTXSID302197092-Butanone, ethyl acetate cavity cleanerRefChem:85938DTXCID30142200ethyl acetate, 2-butanone cavity cleaner2-Pentanone, mixt. with 2-butanoneSCHEMBL3197137Butan-2-one--pentan-2-one (1/1)
Database identifiers
- CAS
69487-31-6- PubChem CID
- 129652
- DTXSID
DTXSID30219709
Properties
Computed structural properties
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 86.8
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationMaterials used in the production of dental bases, restorations, impressions, prostheses, etc.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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