Cas no 54764-97-5 (1H-Pyrrole-2-carbonitrile, 3-methoxy-)
54764-97-5 structure
Product Name:1H-Pyrrole-2-carbonitrile, 3-methoxy-
CAS No:54764-97-5
MF:C6H6N2O
MW:122.12464094162
CID:353738
PubChem ID:55286413
Update Time:2025-04-19
1H-Pyrrole-2-carbonitrile, 3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carbonitrile, 3-methoxy-
- 3-methoxy-1H-pyrrole-2-carbonitrile
- 54764-97-5
- DTXSID10717475
- AKOS006354302
-
- Inchi： 1S/C6H6N2O/c1-9-6-2-3-8-5(6)4-7/h2-3,8H,1H3
- InChI Key： ZJBKWMBWNZIYGU-UHFFFAOYSA-N
- SMILES： O(C)C1C=CNC=1C#N
Computed Properties
- Exact Mass: 122.04808
- Monoisotopic Mass: 122.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 137
- 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: 0.7
- Topological Polar Surface Area: 48.8?2
Experimental Properties
- PSA: 48.81
1H-Pyrrole-2-carbonitrile, 3-methoxy- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
54764-97-5 (1H-Pyrrole-2-carbonitrile, 3-methoxy-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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