Cas no 101952-63-0 (3-Pyridinecarboxylicacid, 6-hydroxyhexyl ester)
101952-63-0 structure
Product Name:3-Pyridinecarboxylicacid, 6-hydroxyhexyl ester
CAS No:101952-63-0
MF:C12H17NO3
MW:223.268283605576
CID:171595
PubChem ID:59174
Update Time:2025-04-19
3-Pyridinecarboxylicacid, 6-hydroxyhexyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylicacid, 6-hydroxyhexyl ester
- 6-hydroxyhexyl pyridine-3-carboxylate
- NICOTINIC ACID, 6-HYDROXYHEXYL ESTER
- BRN 0165036
- 6-Hydroxyhexyl nicotinate
- 101952-63-0
- DTXSID20144415
-
- Inchi： 1S/C12H17NO3/c14-8-3-1-2-4-9-16-12(15)11-6-5-7-13-10-11/h5-7,10,14H,1-4,8-9H2
- InChI Key： HRRFQOPYFCYNRN-UHFFFAOYSA-N
- SMILES： O(C(C1C=NC=CC=1)=O)CCCCCCO
Computed Properties
- Exact Mass: 223.120843g/mol
- Monoisotopic Mass: 223.120843g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 197
- 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
- Molecular Weight: 223.27g/mol
- XLogP3: 1.8
- Topological Polar Surface Area: 59.4?2
3-Pyridinecarboxylicacid, 6-hydroxyhexyl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
101952-63-0 (3-Pyridinecarboxylicacid, 6-hydroxyhexyl ester) Related Products
- 23597-82-2(Hexyl Nicotinoate)
- 6938-06-3(Butyl Pyridine-3-carboxylate)
- 13912-80-6(Nicoboxil)
- 3612-78-0(3-Pyridinecarboxylicacid, dodecyl ester)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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