Home Nitriles 2-methoxy-2-(3-methoxyphenyl)acetonitrile

2-methoxy-2-(3-methoxyphenyl)acetonitrile

CAS No.:
1491330-96-1
Catalog Number:
AG01B6Q6
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
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Product Description
Catalog Number:
AG01B6Q6
Chemical Name:
2-methoxy-2-(3-methoxyphenyl)acetonitrile
CAS Number:
1491330-96-1
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD21684282
IUPAC Name:
2-methoxy-2-(3-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C10H11NO2/c1-12-9-5-3-4-8(6-9)10(7-11)13-2/h3-6,10H,1-2H3
InChI Key:
UQJPQYTZCLYJML-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(C#N)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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties