Cas no 1006-96-8 (3-Pyridinol, 4-methyl-, acetate (ester))
1006-96-8 structure
Product Name:3-Pyridinol, 4-methyl-, acetate (ester)
CAS No:1006-96-8
MF:C8H9NO2
MW:151.162562131882
CID:1127098
PubChem ID:572889
Update Time:2025-04-20
3-Pyridinol, 4-methyl-, acetate (ester) Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinol, 4-methyl-, acetate (ester)
- Acetic acid 4-methyl-3-pyridinyl ester
- 3-Acetoxy-4-methylpyridine
- 4-Methyl-3-pyridinyl acetate #
- JLIFSYCXGJGLGE-UHFFFAOYSA-N
- SCHEMBL10953461
- 3-ACETOXY-4-PICOLINE
- 1006-96-8
- DB-206152
- DTXSID701347662
- 4-METHYLPYRIDIN-3-YL ACETATE
- Q63409088
- (4-methylpyridin-3-yl) acetate
-
- Inchi： 1S/C8H9NO2/c1-6-3-4-9-5-8(6)11-7(2)10/h3-5H,1-2H3
- InChI Key： JLIFSYCXGJGLGE-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=NC=CC=1C
Computed Properties
- Exact Mass: 151.06337
- Monoisotopic Mass: 151.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 147
- 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
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19
3-Pyridinol, 4-methyl-, acetate (ester) Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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