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Home > Nitro Compounds > 14897-67-7
14897-67-7 | 1-Propanone, 2-nitro-1-phenyl-
CAS No: 14897-67-7 Catalog No: AG001LAS MDL No:
Product Description
Catalog Number:
AG001LAS
Chemical Name:
1-Propanone, 2-nitro-1-phenyl-
CAS Number:
14897-67-7
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
2-nitro-1-phenylpropan-1-one
InChI:
InChI=1S/C9H9NO3/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
PTUMFHSUFORVRK-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Detection of volatile indicators of illicit substances by the olfactory receptors of Drosophila melanogaster. | Chemical senses 20100901 |
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