Cas no 65305-38-6 (ETHANONE, 1-(6-METHYL-3-PYRIDINYL)-, HYDROCHLORIDE)
65305-38-6 structure
Product Name:ETHANONE, 1-(6-METHYL-3-PYRIDINYL)-, HYDROCHLORIDE
CAS No:65305-38-6
MF:C8H10ClNO
MW:171.624101161957
CID:3430829
PubChem ID:67521674
Update Time:2025-04-21
ETHANONE, 1-(6-METHYL-3-PYRIDINYL)-, HYDROCHLORIDE Chemical and Physical Properties
Names and Identifiers
-
- ETHANONE, 1-(6-METHYL-3-PYRIDINYL)-, HYDROCHLORIDE
- Ethanone, 1-(6-methyl-3-pyridinyl)-, hydrochloride (1:1)
- Q27259219
- SCHEMBL2750908
- UNII-494197627D
- 494197627D
- 3-Acetyl-6-methylpyridine hydrochloride
- 65305-38-6
-
- Inchi： 1S/C8H9NO.ClH/c1-6-3-4-8(5-9-6)7(2)10;/h3-5H,1-2H3;1H
- InChI Key： PWJKQFYEKZIQGN-UHFFFAOYSA-N
- SMILES： Cl.O=C(C)C1=CN=C(C)C=C1
Computed Properties
- Exact Mass: 171.0450916Da
- Monoisotopic Mass: 171.0450916Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 133
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 30?2
ETHANONE, 1-(6-METHYL-3-PYRIDINYL)-, HYDROCHLORIDE Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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
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