Basic information
- CAS
939-98-0- Standard SMILES
[2H]C([2H])([2H])c1ccc(CC)cc1- InChIKey
JRLPEMVDPFPYPJ-BMSJAHLVSA-N- Molecular formula
- C9H12
- Average molar mass
- 123.21 g/mol
- Monoisotopic mass
- 123.11273062
Names & identifiers
- Preferred name
- 1-Ethyl-4-methyl-d3-benzene
- IUPAC
- 1-ethyl-4-(trideuteriomethyl)benzene
- English name
- 4-ETHYLTOLUENE-ALPHA,ALPHA,ALPHA-D3
- Molecular formula
- C9H12
- Molecular weight
- 120.2
Names & synonyms
1-Ethyl-4-methyl-d3-benzene939-98-0SCHEMBL30986322DTXSID102398691-Ethyl-4-(~2~H_3_)methylbenzene4-ETHYLTOLUENE-ALPHA,ALPHA,ALPHA-D3
Database identifiers
- CAS
939-98-0- PubChem CID
- 136753
- DTXSID
DTXSID10239869
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
Chemistry & industry
Suppliers2 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…