Cas no 101756-32-5 (Propanedinitrile,2-[(2-hydroxy-1-naphthalenyl)methylene]-)
![Propanedinitrile,2-[(2-hydroxy-1-naphthalenyl)methylene]- structure](https://ossimg.kuujia.com/scimg/102000/101756-32-5x500.png)
101756-32-5 structure
Product Name:Propanedinitrile,2-[(2-hydroxy-1-naphthalenyl)methylene]-
CAS No:101756-32-5
MF:C14H8N2O
MW:220.22612285614
CID:209650
PubChem ID:58850
Update Time:2025-04-19
Propanedinitrile,2-[(2-hydroxy-1-naphthalenyl)methylene]- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile,2-[(2-hydroxy-1-naphthalenyl)methylene]-
- 2-[(2-hydroxynaphthalen-1-yl)methylidene]propanedinitrile
- (2-Hydroxy-1-(naphthylmethylene))malononitrile
- 2-((2-Hydroxy-1-naphthyl)methylene)malononitrile
- 2-cyano-3-(2-hydroxy-1-naphthyl)acrylonitrile
- 2-cyano-3-(2-hydroxynaphth-1-yl)acrylonitrile
- AC1L1PWS
- AC1Q4PY0
- LS-88951
- MALONONITRILE, (2-HYDROXY-1-(NAPHTHYLMETHYLENE))-
- NSC663984
- CHEMBL1993884
- NSC-663984
- 2-[(2-hydroxy-1-naphthyl)methylene]propanedinitrile
- AKOS023197589
- SCHEMBL5203945
- DTXSID90144164
- 101756-32-5
- NCI60_022004
-
- Inchi： 1S/C14H8N2O/c15-8-10(9-16)7-13-12-4-2-1-3-11(12)5-6-14(13)17/h1-7,17H
- InChI Key： UCDYXURSVIOOCB-UHFFFAOYSA-N
- SMILES： OC1=CC=C2C=CC=CC2=C1/C=C(\C#N)/C#N
Computed Properties
- Exact Mass: 220.06374
- Monoisotopic Mass: 220.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 390
- 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
- Topological Polar Surface Area: 67.8A^2
- XLogP3: 2.9
Experimental Properties
- Density: 1.326
- Boiling Point: 456.3°Cat760mmHg
- Flash Point: 229.8°C
- Refractive Index: 1.728
- PSA: 67.81
- LogP: 2.97596
Propanedinitrile,2-[(2-hydroxy-1-naphthalenyl)methylene]- Related Literature
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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