α-Isonitrosopropiophenone
Product Information
Molecular Formula
C9H9NO2
Molecular Weight
163.17
Description
α-Isonitrosopropiophenone (CAS# 119-51-7) is a useful research chemical.
Synonyms
(2E)-2-hydroxyimino-1-phenylpropan-1-one
IUPAC Name
(2E)-2-hydroxyimino-1-phenylpropan-1-one
SMILES
CC(=NO)C(=O)C1=CC=CC=C1
InChI
InChI=1S/C9H9NO2/c1-7(10-12)9(11)8-5-3-2-4-6-8/h2-6,12H,1H3/b10-7+
InChI Key
YPINLRNGSGGJJT-JXMROGBWSA-N
Boiling Point
292.5 °C at 760 mmHg
Melting Point
113-115 °C
Purity
> 98.0 % (GC)
Density
1.1 g/cm3
Appearance
White to tan powder
LogP
1.71940
Safety Information
Precautionary Statement
P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501
Signal Word
Warning
Computed Properties
XLogP3
2.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
163.063328530 g/mol
Monoisotopic Mass
163.063328530 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
193
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CA-2844652-C | Pde10 modulators | 2011-09-06 |
| EP-2753604-B1 | Pde10 modulators | 2011-09-06 |
| JP-2014525467-A | PDE10 modulator | 2011-09-06 |
| JP-5973576-B2 | PDE10 modulator | 2011-09-06 |
| KR-101611106-B1 | Pde10 modulators | 2011-09-06 |
| KR-20140069088-A | Pde10 modulators | 2011-09-06 |
| RU-2567396-C1 | Phosphodiesterase 10 modulators | 2011-09-06 |
| US-2013059833-A1 | Pde10 modulators | 2011-09-06 |
| US-8772510-B2 | PDE10 modulators | 2011-09-06 |
| US-2013030002-A1 | Fungicidal oximes and hydrazones | 2010-05-20 |
