Basic information
- CAS
4748-86-1- Standard SMILES
CC1CC=CC=C1C=O- InChIKey
UINSAUGFYNAHOP-UHFFFAOYSA-N- Molecular formula
- C8H10O
- Average molar mass
- 122.16 g/mol
- Monoisotopic mass
- 122.07316494
Names & identifiers
- Preferred name
- 6-Methylcyclohexa-1,3-diene-1-carbaldehyde
- IUPAC
- 6-methylcyclohexa-1,3-diene-1-carbaldehyde
- English name
- 6-methylcyclohexa-1,3-diene-1-carbaldehyde
- Molecular formula
- C8H10O
- Molecular weight
- 122.16
Names & synonyms
6-Methylcyclohexa-1,3-diene-1-carbaldehyde4748-86-1EINECS 225-269-3SCHEMBL28570851DTXSID70963855UINSAUGFYNAHOP-UHFFFAOYSA-N6-methylcyclohexa-1,3-dienecarbaldehydeNS000450356-Methyl-1,3-cyclohexadiene-1-carbaldehyde1,3-Cyclohexadiene-1-carboxaldehyde, 6-methyl-
Database identifiers
- CAS
4748-86-1- PubChem CID
- 107331
- DTXSID
DTXSID70963855- EC Number
- 225-269-3
- Nikkaji
- J262.430C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 79.5 · 79.5-80.5 °C(Press: 19 Torr)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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