1,3-Dimethyldihydrobenzene
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Basic information
- CAS
4573-05-1- Standard SMILES
CC1=CCCC(C)=C1- InChIKey
NRIKWVIMMDMYAX-UHFFFAOYSA-N- Molecular formula
- C8H12
- Average molar mass
- 108.18 g/mol
- Monoisotopic mass
- 108.09390038
Names & identifiers
- Preferred name
- 1,3-Dimethyldihydrobenzene
- IUPAC
- 1,3-dimethylcyclohexa-1,3-diene
- English name
- 1,3-Cyclohexadiene, 1,3-dimethyl-
- Molecular formula
- C8H12
- Molecular weight
- 108.18
Names & synonyms
1,3-Dimethyldihydrobenzene1,3-dimethyl-1,3-cyclohexadiene4573-05-11,3-dimethylcyclohexa-1,3-dieneSCHEMBL1237694SCHEMBL2704411SCHEMBL6902342SCHEMBL9587552SCHEMBL9588612SCHEMBL9902778DTXSID601966101,3-Cyclohexadiene, 1,3-dimethyl-
Database identifiers
- CAS
4573-05-1- PubChem CID
- 138296
- DTXSID
DTXSID60196610- Nikkaji
- J1.683.551J
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 137.85 °C · 137.85°C
- Density
- 0.8373 · 0.8373
- refractive index
- 1.4776 · 1.4776
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Compound notes
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