Cas no 114951-34-7 (3-Pyridinemethanol,3-acetate, 1-oxide)
114951-34-7 structure
Product Name:3-Pyridinemethanol,3-acetate, 1-oxide
CAS No:114951-34-7
MF:C8H9NO3
MW:167.161962270737
CID:130542
PubChem ID:280728
Update Time:2025-04-19
3-Pyridinemethanol,3-acetate, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinemethanol,3-acetate, 1-oxide
- (1-Oxido-3-pyridinyl)methyl acetate
- ACETIC ACID 1-OXY-PYRIDIN-3-YLMETHYL ESTER
- NSC132857
- 114951-34-7
- (1-oxidopyridin-1-ium-3-yl)methyl acetate
- AKOS006289576
- NSC-132857
-
- Inchi： 1S/C8H9NO3/c1-7(10)12-6-8-3-2-4-9(11)5-8/h2-5H,6H2,1H3
- InChI Key： FTHVEGMSKZHCRL-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CC1=CC=C[N+](=C1)[O-]
Computed Properties
- Exact Mass: 167.05827
- Monoisotopic Mass: 167.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 160
- 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: -0.5
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 53.24
3-Pyridinemethanol,3-acetate, 1-oxide Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
114951-34-7 (3-Pyridinemethanol,3-acetate, 1-oxide) Related Products
- 29681-45-6(methyl 5-methylpyridine-3-carboxylate)
- 20826-02-2(Ethyl 5-methylnicotinate)
- 4591-55-3(Dimethyl 3,5-Pyridinedicarboxylate)
- 4591-56-4(Diethyl 3,5-pyridinedicarboxylate)
- 4664-08-8(3,4-Pyridinedicarboxylic anhydride)
- 16837-38-0(Nicotinic anhydride)
- 5027-65-6(5-methoxycarbonylpyridine-3-carboxylic acid)
- 614-18-6(ethyl pyridine-3-carboxylate)
- 93-60-7(Methyl nicotinate)
- 94-44-0(Benzyl nicotinate)
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