Home Nitriles 4-Methoxybenzoylacetonitrile

4-Methoxybenzoylacetonitrile

CAS No.:
3672-47-7
Catalog Number:
AG003LNB
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$100
- +
25g
98%
In Stock USA
United States
$350
- +
100g
98%
In Stock USA
United States
$963
- +
Product Description
Catalog Number:
AG003LNB
Chemical Name:
4-Methoxybenzoylacetonitrile
CAS Number:
3672-47-7
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00067889
IUPAC Name:
3-(4-methoxyphenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C10H9NO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-5H,6H2,1H3
InChI Key:
IKEPUFCALLUUBC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CC#N
NSC Number:
31895
Properties
Complexity:
220  
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:
0.9  
Properties