Cas no 139984-00-2 (1-Hexanone, 2-methyl-1-(2-pyridinyl)-)
139984-00-2 structure
Product Name:1-Hexanone, 2-methyl-1-(2-pyridinyl)-
CAS No:139984-00-2
MF:C12H17NO
MW:191.269483327866
CID:1283249
PubChem ID:71343137
Update Time:2025-04-20
1-Hexanone, 2-methyl-1-(2-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexanone, 2-methyl-1-(2-pyridinyl)-
- 2-methyl-1-pyridin-2-ylhexan-1-one
- 139984-00-2
- DTXSID80769784
- 2-METHYL-1-(PYRIDIN-2-YL)HEXAN-1-ONE
-
- Inchi： 1S/C12H17NO/c1-3-4-7-10(2)12(14)11-8-5-6-9-13-11/h5-6,8-10H,3-4,7H2,1-2H3
- InChI Key： OOJTYBIWZLFIEA-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CN=1)C(C)CCCC
Computed Properties
- Exact Mass: 191.13111
- Monoisotopic Mass: 191.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 179
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 30?2
Experimental Properties
- PSA: 29.96
1-Hexanone, 2-methyl-1-(2-pyridinyl)- Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
139984-00-2 (1-Hexanone, 2-methyl-1-(2-pyridinyl)-) Related Products
- 57276-28-5(2-cyclopropanecarbonylpyridine)
- 6952-53-0(3-Methyl-1-(pyridin-2-yl)butan-1-one)
- 3238-55-9(2-Propionylpyridine)
- 22971-32-0(2-Butyrylpyridine)
- 898779-40-3(2-Decanoylpyridine)
- 7137-97-5(1-(Pyridin-2-yl)pentan-1-one)
- 6602-64-8(2-cyclohexanecarbonylpyridine)
- 60975-82-8(2-Heptanoylpyridine)
- 143773-13-1(1-(Pyridin-2-yl)nonan-1-one)
- 898779-37-8(1-(Pyridin-2-yl)octan-1-one)
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