Basic information
- CAS
22071-33-6- Standard SMILES
COc1c(CC#N)cccc1C(=O)c1ccccc1- InChIKey
MIJYFLXOJQTGHU-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- (3-Benzoyl-2-methoxyphenyl)acetonitrile
- IUPAC
- 2-(3-benzoyl-2-methoxyphenyl)acetonitrile
- English name
- (3-benzoyl-2-methoxyphenyl)acetonitrile
- Molecular formula
- C16H13NO2
- Molecular weight
- 251.27992
Names & synonyms
(3-Benzoyl-2-methoxyphenyl)acetonitrile22071-33-6EINECS 244-764-5SCHEMBL9427493DTXSID90176566MIJYFLXOJQTGHU-UHFFFAOYSA-NNS000270463-Benzoyl-2-methoxybenzeneacetonitrile2-(3-benzoyl-2-methoxyphenyl)acetonitrile
Database identifiers
- CAS
22071-33-6- PubChem CID
- 89588
- DTXSID
DTXSID90176566- EC Number
- 244-764-5
- Nikkaji
- J285.428G
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…