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Home Nitriles 3-(3-Methoxy-phenyl)-3-oxo-propionitrile

3-(3-Methoxy-phenyl)-3-oxo-propionitrile

CAS No.:
21667-60-7
Catalog Number:
AG007PGU
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$23
- +
5g
98%
In Stock USA
United States
$54
- +
10g
98%
In Stock USA
United States
$100
- +
25g
98%
In Stock USA
United States
$157
- +
100g
98%
In Stock USA
United States
$419
- +
Product Description
Catalog Number:
AG007PGU
Chemical Name:
3-(3-Methoxy-phenyl)-3-oxo-propionitrile
CAS Number:
21667-60-7
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD01566517
IUPAC Name:
3-(3-methoxyphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H9NO2/c1-13-9-4-2-3-8(7-9)10(12)5-6-11/h2-4,7H,5H2,1H3
InChI Key:
HWXOHKGATNULJP-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cccc(c1)OC
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties