Home Nitriles o-Anisonitrile, 3-amino- (5CI)

o-Anisonitrile, 3-amino- (5CI)

CAS No.:
725718-10-5
Catalog Number:
AG00FEXG
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
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Product Description
Catalog Number:
AG00FEXG
Chemical Name:
o-Anisonitrile, 3-amino- (5CI)
CAS Number:
725718-10-5
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD18389725
IUPAC Name:
3-amino-2-methoxybenzonitrile
InChI:
InChI=1S/C8H8N2O/c1-11-8-6(5-9)3-2-4-7(8)10/h2-4H,10H2,1H3
InChI Key:
DWPSMIOGNINQKD-UHFFFAOYSA-N
SMILES:
COc1c(C#N)cccc1N
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties