Basic information
- CAS
23073-04-3- Standard SMILES
COc1ccc(C(=O)CC(C#N)c2ccc(OC)cc2)cc1- InChIKey
SOTWSEPIXMUMOY-UHFFFAOYSA-N- Molecular formula
- C18H17NO3
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.1208434
Names & identifiers
- Preferred name
- 2,4-Bis(4-methoxyphenyl)-4-oxobutanenitrile
- IUPAC
- 2,4-bis(4-methoxyphenyl)-4-oxobutanenitrile
- English name
- Benzenebutanenitrile,4-methoxy-a-(4-methoxyphenyl)-g-oxo-
- Molecular formula
- C18H17NO3
- Molecular weight
- 295.33
Names & synonyms
2,4-bis(4-methoxyphenyl)-4-oxobutanenitrile23073-04-3MFCD01083067benzenebutanenitrile, 4-methoxy-alpha-(4-methoxyphenyl)-gamma-oxo-NSC249795DTXSID80312097ALBB-025262SBB072248AKOS003391115NSC-249795LS-08457DS-006839
Show more names
Benzenebutanenitrile, 4-methoxy-α-(4-methoxyphenyl)-γ-oxo-
CS-0323938ST450277782,4-bis(4-methoxyphenyl)-4-oxo-butanenitrileH35024BENZENEBUTANENITRILE,4-METHOXY-A-(4-METHOXYPHENYL)-G-OXO-4-METHOXY-.ALPHA.-(4-METHOXYPHENYL)-.GAMMA.-OXOBENZENEBUTANENITRILE
Database identifiers
- CAS
23073-04-3- PubChem CID
- 317533
- DTXSID
DTXSID80312097
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Melting point
- 119 °C · 119 °C
- Boiling point
- 502.4 · 502.4±50.0 °C(Predicted)
- Density
- 1.149 · 1.149±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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