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1591-37-3 | Benzonitrile, 2-amino-6-methoxy-
CAS No: 1591-37-3 Catalog No: AG001QHD MDL No:MFCD09745275
Product Description
Catalog Number:
AG001QHD
Chemical Name:
Benzonitrile, 2-amino-6-methoxy-
CAS Number:
1591-37-3
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD09745275
IUPAC Name:
2-amino-6-methoxybenzonitrile
InChI:
InChI=1S/C8H8N2O/c1-11-8-4-2-3-7(10)6(8)5-9/h2-4H,10H2,1H3
InChI Key:
LBVLXRZXEOPYDW-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C#N)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:
1.5
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