Cas no 2224-39-7 (2-Octanol, 1-nitro-)
2-Octanol, 1-nitro- structure
Product Name:2-Octanol, 1-nitro-
2-Octanol, 1-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Octanol, 1-nitro-
- 1-nitrooctan-2-ol
- (+-)-1-nitro-octan-2-ol
- (+-)-1-Nitro-octanol-(2)
- 1-nitro-2-octanol
- 1-nitro-octan-2-ol
- 1-Nitro-octanol-(2)
- 2-Hydroxy-1-nitro-octan
- AC1L3UKO
- AC1Q21TA
- AR-1C4857
- CTK1A6562
- NSC19563
- NSC 19563
- NSC-19563
- 2-hydroxynitro octane
- 2224-39-7
- SCHEMBL10947381
-
- Inchi： 1S/C8H17NO3/c1-2-3-4-5-6-8(10)7-9(11)12/h8,10H,2-7H2,1H3
- InChI Key： UHUZCPVKBAPSSA-UHFFFAOYSA-N
- SMILES： OC(C[N+](=O)[O-])CCCCCC
Computed Properties
- Exact Mass: 175.12091
- Monoisotopic Mass: 175.120843
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 122
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66
- XLogP3: 2.3
Experimental Properties
- Density: 1.023
- Boiling Point: 275.1°C at 760 mmHg
- Flash Point: 115.1°C
- Refractive Index: 1.456
- PSA: 63.37
- LogP: 2.11760
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