Basic information
- CAS
940-73-8- Standard SMILES
[2H]C([2H])([2H])Cc1ccc(C)cc1- InChIKey
JRLPEMVDPFPYPJ-FIBGUPNXSA-N- Molecular formula
- C9H12
- Average molar mass
- 123.21 g/mol
- Monoisotopic mass
- 123.11273062
Names & identifiers
- Preferred name
- 1-Ethyl-2,2,2-d3-4-methylbenzene
- IUPAC
- 1-methyl-4-(2,2,2-trideuterioethyl)benzene
Names & synonyms
1-Ethyl-2,2,2-d3-4-methylbenzene940-73-8DTXSID302401941-(2,2,2-~2~H_3_)Ethyl-4-methylbenzene
Database identifiers
- CAS
940-73-8- PubChem CID
- 136756
- DTXSID
DTXSID30240194
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 68.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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