Cas no 32487-71-1 (1H-Pyrrole-3-carbonitrile,5-formyl-2,4-dimethyl-)
32487-71-1 structure
Product Name:1H-Pyrrole-3-carbonitrile,5-formyl-2,4-dimethyl-
1H-Pyrrole-3-carbonitrile,5-formyl-2,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carbonitrile,5-formyl-2,4-dimethyl-
- Pyrrole-3-carbonitrile,5-formyl-2,4-dimethyl- (8CI)
- 5-formyl-2,4-dimethyl-1H-pyrrole-3-carbonitrile
- 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carbonitrile #
- NCGC00342980-01
- Pyrrole-3-carbonitrile, 5-formyl-2,4-dimethyl-
- AKOS005594036
- DTXSID20343567
- AB01333384-02
- NUZFWOHLPJAAOA-UHFFFAOYSA-N
- 32487-71-1
-
- Inchi： 1S/C8H8N2O/c1-5-7(3-9)6(2)10-8(5)4-11/h4,10H,1-2H3
- InChI Key： NUZFWOHLPJAAOA-UHFFFAOYSA-N
- SMILES： O=CC1=C(C)C(C#N)=C(C)N1
Computed Properties
- Exact Mass: 148.06374
- Monoisotopic Mass: 148.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 205
- 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: 1
- Topological Polar Surface Area: 56.6?2
Experimental Properties
- PSA: 56.65
1H-Pyrrole-3-carbonitrile,5-formyl-2,4-dimethyl- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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