Cas no 2972-85-2 (Propanedinitrile,2-[1-(4-methoxyphenyl)ethylidene]-)
![Propanedinitrile,2-[1-(4-methoxyphenyl)ethylidene]- structure](https://ossimg.kuujia.com/scimg/3000/2972-85-2x500.png)
2972-85-2 structure
Product Name:Propanedinitrile,2-[1-(4-methoxyphenyl)ethylidene]-
CAS No:2972-85-2
MF:C12H10N2O
MW:198.22060251236
CID:269823
PubChem ID:263701
Update Time:2025-04-19
Propanedinitrile,2-[1-(4-methoxyphenyl)ethylidene]- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile,2-[1-(4-methoxyphenyl)ethylidene]-
- 2-[1-(4-methoxyphenyl)ethylidene]propanedinitrile
- 1-(4-methoxyphenyl)ethylidenemalononitrile
- 1-phenylethylidenemalononitrile
- 2-(1-(4-Methoxyphenyl)ethylidene)malononitrile
- 2-[1-(4-methoxyphenyl)ethylidene]malononitrile
- 2-[1-(4-methoxyphenyl)ethylidene]-malononitrile
- 2-Cyan-3-(4-methoxyphenyl)-but-2-ennitril
- AC1L6A9O
- AC1Q4PX9
- AR-1C5952
- CTK4G3734
- NCIOpen2_001646
- NSC638143
- NSC98362
- NSC-98362
- AKOS004122977
- SCHEMBL15629599
- DTXSID70294838
- NSC-638143
- 2972-85-2
-
- Inchi： 1S/C12H10N2O/c1-9(11(7-13)8-14)10-3-5-12(15-2)6-4-10/h3-6H,1-2H3
- InChI Key： FHABJCOKDOJSHP-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=CC=1)/C(=C(\C#N)/C#N)/C
Computed Properties
- Exact Mass: 198.0794
- Monoisotopic Mass: 198.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- PSA: 56.81
- LogP: 2.51586
Propanedinitrile,2-[1-(4-methoxyphenyl)ethylidene]- Related Literature
-
Prabhat Sarkar,Pinaki Saha,Prasanta Ghosh,Chhanda Mukhopadhyay Org. Biomol. Chem. 2023 21 789
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