Cas no 112372-20-0 (2-Pyridineacetonitrile,3-hydroxy-)
112372-20-0 structure
Product Name:2-Pyridineacetonitrile,3-hydroxy-
CAS No:112372-20-0
MF:C7H6N2O
MW:134.13534116745
CID:129747
PubChem ID:13803077
Update Time:2025-04-19
2-Pyridineacetonitrile,3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridineacetonitrile,3-hydroxy-
- 2-Pyridineacetonitrile,3-hydroxy-(9CI)
- 112372-20-0
- SCHEMBL2890333
- 2-(3-hydroxypyridin-2-yl)acetonitrile
- 3-Hydroxy-2-pyridineacetonitrile
- DTXSID801301118
-
- Inchi： 1S/C7H6N2O/c8-4-3-6-7(10)2-1-5-9-6/h1-2,5,10H,3H2
- InChI Key： KXCLEESYGWKEHV-UHFFFAOYSA-N
- SMILES： OC1=CC=CN=C1CC#N
Computed Properties
- Exact Mass: 134.048012819g/mol
- Monoisotopic Mass: 134.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 149
- 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: 0.2
- Topological Polar Surface Area: 56.9?2
2-Pyridineacetonitrile,3-hydroxy- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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