Mesitylene, 2-propadienyl-
Basic information
- CAS
29555-07-5- Standard SMILES
C=C=Cc1c(C)cc(C)cc1C- InChIKey
DNYPZTRMJKEVIO-UHFFFAOYSA-N- Molecular formula
- C12H14
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.10955045
Names & identifiers
- Preferred name
- Mesitylene, 2-propadienyl-
- IUPAC
- 1,3,5-trimethyl-2-propa-1,2-dienylbenzene
- English name
- 2-Propadienylmesitylene
- Molecular formula
- C12H14
- Molecular weight
- 158.24
Names & synonyms
Mesitylene, 2-propadienyl-Benzene, 1,3,5-trimethyl-2-(1,2-propadienyl)-DNYPZTRMJKEVIO-UHFFFAOYSA-N1,3,5-Trimethyl-2-(1,2-propadienyl)benzene #2-PropadienylmesityleneBenzene, 1,3,5-trimethyl-2-(1,2-propadien-1-yl)-
Database identifiers
- CAS
29555-07-5- PubChem CID
- 588776
- Nikkaji
- J139.607B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 248.6 · 248.6±35.0 °C(Predicted)
- Density
- 0.882 · 0.882±0.06 g/cm3(Predicted)
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Compound notes
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