Cas no 97798-35-1 (2-Hydroxy-2-(naphthalen-1-yl)acetonitrile)
97798-35-1 structure
Product Name:2-Hydroxy-2-(naphthalen-1-yl)acetonitrile
CAS No:97798-35-1
MF:C12H9NO
MW:183.205962896347
CID:750889
PubChem ID:10797539
Update Time:2024-03-01
2-Hydroxy-2-(naphthalen-1-yl)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthaleneacetonitrile, a-hydroxy-
- 2-hydroxy-2-(naphthalen-1-yl)acetonitrile
- (1-Naphthyl)hydroxyacetonitrile
- XDZFFVKVCYLBDP-UHFFFAOYSA-N
- hydroxy(1-naphthalenyl)acetonitrile
- 2-Hydroxy-2-(naphthalen-1-yl)acetonitrile
-
- Inchi： 1S/C12H9NO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14H
- InChI Key： XDZFFVKVCYLBDP-UHFFFAOYSA-N
- SMILES： OC(C#N)C1C=CC=C2C=CC=CC=12
Computed Properties
- Exact Mass: 183.068413911g/mol
- Monoisotopic Mass: 183.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 242
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 44
- XLogP3: 2.3
2-Hydroxy-2-(naphthalen-1-yl)acetonitrile Related Literature
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
97798-35-1 (2-Hydroxy-2-(naphthalen-1-yl)acetonitrile) Related Products
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