α-Isonitrosopropiophenone

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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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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