Home Nitriles 2-(2,3-Dimethoxyphenyl)acetonitrile

2-(2,3-Dimethoxyphenyl)acetonitrile

CAS No.:
4468-57-9
Catalog Number:
AG0071HP
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
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Product Description
Catalog Number:
AG0071HP
Chemical Name:
2-(2,3-Dimethoxyphenyl)acetonitrile
CAS Number:
4468-57-9
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD00016387
IUPAC Name:
2-(2,3-dimethoxyphenyl)acetonitrile
InChI:
InChI=1S/C10H11NO2/c1-12-9-5-3-4-8(6-7-11)10(9)13-2/h3-5H,6H2,1-2H3
InChI Key:
VAOKGCHIOACZHR-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1OC)OC
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties