Cas no 67377-32-6 (1H-Pyrrole-3-carbonitrile, 2-formyl-4,5-dimethyl- (9CI))
67377-32-6 structure
Product Name:1H-Pyrrole-3-carbonitrile, 2-formyl-4,5-dimethyl- (9CI)
CAS No:67377-32-6
MF:C8H8N2O
MW:148.16192150116
CID:1017840
PubChem ID:45083626
Update Time:2025-04-20
1H-Pyrrole-3-carbonitrile, 2-formyl-4,5-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-3-carbonitrile, 2-formyl-4,5-dimethyl- (9CI)
- 67377-32-6
- 2-Formyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile
- 1H-Pyrrole-3-carbonitrile, 2-formyl-4,5-dimethyl-
- DB-279902
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- Inchi： 1S/C8H8N2O/c1-5-6(2)10-8(4-11)7(5)3-9/h4,10H,1-2H3
- InChI Key： HDEIPRYXYOVSDO-UHFFFAOYSA-N
- SMILES： O=CC1=C(C#N)C(C)=C(C)N1
Computed Properties
- Exact Mass: 148.064
- Monoisotopic Mass: 148.064
- 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
- Topological Polar Surface Area: 56.6A^2
- XLogP3: 1
1H-Pyrrole-3-carbonitrile, 2-formyl-4,5-dimethyl- (9CI) Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
67377-32-6 (1H-Pyrrole-3-carbonitrile, 2-formyl-4,5-dimethyl- (9CI)) Related Products
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