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Home > Nitro Compounds > 15990-45-1
15990-45-1 | Benzenemethanol, α-(nitromethyl)-
CAS No: 15990-45-1 Catalog No: AG001RIF MDL No:MFCD00854219
Product Description
Catalog Number:
AG001RIF
Chemical Name:
Benzenemethanol, α-(nitromethyl)-
CAS Number:
15990-45-1
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00854219
IUPAC Name:
2-nitro-1-phenylethanol
InChI:
InChI=1S/C8H9NO3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2
InChI Key:
XUEWIQNQPBSCOR-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)C[N+](=O)[O-]
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Resolution of 2-nitroalcohols by Burkholderia cepacia lipase-catalyzed enantioselective acylation. | Biotechnology letters 20120101 |
| Synthesis and enantioseparation characteristics of a novel mono-6-deoxy-(2,4-dihydroxybenzimide)-β-cyclodextrin as a chiral stationary phase in high-performance liquid chromatography. | Talanta 20111030 |
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