Cas no 20846-00-8 (Propane, 2-nitro-,ion(1-))
Propane, 2-nitro-,ion(1-) structure
Product Name:Propane, 2-nitro-,ion(1-)
CAS No:20846-00-8
MF:C3H6NO2
MW:88.0852408409119
CID:260458
PubChem ID:107791
Update Time:2025-04-19
Propane, 2-nitro-,ion(1-) Chemical and Physical Properties
Names and Identifiers
-
- Propane, 2-nitro-,ion(1-)
- 2-Nitropropane ion
- 20846-00-8
- A815296
- CCRIS 2072
- 2-Nitropropane nitronate
- Propane, 2-nitro-, ion (1-)
- Propane-2-nitronate
- BRN 1841018
-
- Inchi： 1S/C3H6NO2/c1-3(2)4(5)6/h1-2H3/q-1
- InChI Key： MRHSGZMVLDOZCK-UHFFFAOYSA-N
- SMILES： [O-][N+]([C-](C)C)=O
Computed Properties
- Exact Mass: 88.03988
- Monoisotopic Mass: 88.039853434g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 54.3
- 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: 0.8
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
Propane, 2-nitro-,ion(1-) Related Literature
-
1. Radical–nucleophilic substitution (SRN1) reactions: preparation and reactions of α-nitrosuiphidesW. Russell Bowman,Geoffrey D. Richardson J. Chem. Soc. Perkin Trans. 1 1980 1407
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Adam Pokluda,Ekaterina Zubova,Josef Chudoba,Martin Krupi?ka,Radek Cibulka Org. Biomol. Chem. 2023 21 2768
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