Cas no 113123-40-3 (3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-2-oxo-6-propyl-)
113123-40-3 structure
Product Name:3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-2-oxo-6-propyl-
CAS No:113123-40-3
MF:C10H12N2O
MW:176.215082168579
CID:3623176
PubChem ID:13837915
Update Time:2025-04-22
3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-2-oxo-6-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-2-oxo-6-propyl-
- 1,2-Dihydro-4-methyl-2-oxo-6-propyl-3-pyridinecarbonitrile
- ZZZPJCCGVJYNAH-UHFFFAOYSA-N
- 4-methyl-2-oxo-6-propyl-1,2-dihydro-pyridine-3-carbonitrile
- 4-methyl-2-oxo-6-propyl-1,2-dihydro-3-pyridinecarbonitrile
- SCHEMBL1694783
- DB-421113
- 113123-40-3
-
- Inchi： 1S/C10H12N2O/c1-3-4-8-5-7(2)9(6-11)10(13)12-8/h5H,3-4H2,1-2H3,(H,12,13)
- InChI Key： ZZZPJCCGVJYNAH-UHFFFAOYSA-N
- SMILES： C1(=O)NC(CCC)=CC(C)=C1C#N
Computed Properties
- Exact Mass: 176.094963011Da
- Monoisotopic Mass: 176.094963011Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 341
- 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: 1.2
- Topological Polar Surface Area: 52.9?2
3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-2-oxo-6-propyl- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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