Cas no 15128-86-6 (3-Pyridinol, 2-nitro-,3-acetate)
15128-86-6 structure
Product Name:3-Pyridinol, 2-nitro-,3-acetate
CAS No:15128-86-6
MF:C7H6N2O4
MW:182.133541584015
CID:224750
PubChem ID:322354
Update Time:2025-04-19
3-Pyridinol, 2-nitro-,3-acetate Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinol, 2-nitro-,3-acetate
- (2-nitropyridin-3-yl) acetate
- 3-Acetoxy-2-nitropyridin
- 3-acetoxy-2-nitro-pyridine
- AC1L8695
- NSC279498
- 15128-86-6
- NSC-279498
- Acetic acid 2-nitro-pyridin-3-yl ester
- nitro-3-pyridyl acetate
- DTXSID50313990
-
- Inchi： 1S/C7H6N2O4/c1-5(10)13-6-3-2-4-8-7(6)9(11)12/h2-4H,1H3
- InChI Key： SEIJLONYISLZRD-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1=CC=CN=C1[N+](=O)[O-]
Computed Properties
- Exact Mass: 182.03278
- Monoisotopic Mass: 182.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 213
- 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: 85?2
Experimental Properties
- Density: 1.378
- Boiling Point: 341.1°C at 760 mmHg
- Flash Point: 160.1°C
- Refractive Index: 1.552
- PSA: 82.33
- LogP: 1.43830
3-Pyridinol, 2-nitro-,3-acetate Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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