Benzeneacetaldehyde, reaction products with 2-methylpropanal
Basic information
- CAS
68512-06-1- Standard SMILES
CC(C)C=O.O=CCc1ccccc1- InChIKey
QUIWBQRTXQXIPD-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- Benzeneacetaldehyde, reaction products with 2-methylpropanal
- IUPAC
- 2-methylpropanal;2-phenylacetaldehyde
Names & synonyms
EINECS 270-955-8RefChem:117356270-955-8SCHEMBL28742099
Database identifiers
- CAS
68512-06-1- PubChem CID
- 172183
- EC Number
- 270-955-8
Properties
Computed structural properties
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 113
Experimental & physicochemical properties
UVCBUVCB -> EPA TSCA
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneacetaldehyde, reaction products with 2-methylpropanal: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…