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269411-71-4 | 3-Amino-5-methoxybenzonitrile
CAS No: 269411-71-4 Catalog No: AG00384Q MDL No:MFCD18389726
Product Description
Catalog Number:
AG00384Q
Chemical Name:
3-Amino-5-methoxybenzonitrile
CAS Number:
269411-71-4
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD18389726
IUPAC Name:
3-amino-5-methoxybenzonitrile
InChI:
InChI=1S/C8H8N2O/c1-11-8-3-6(5-9)2-7(10)4-8/h2-4H,10H2,1H3
InChI Key:
FFTOQOKMASMDFH-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc(c1)N
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
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