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1545025-44-2 | 2-amino-4,6-dimethoxybenzonitrile
CAS No: 1545025-44-2 Catalog No: AG01FEHM MDL No:
Product Description
Catalog Number:
AG01FEHM
Chemical Name:
2-amino-4,6-dimethoxybenzonitrile
CAS Number:
1545025-44-2
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
IUPAC Name:
2-amino-4,6-dimethoxybenzonitrile
InChI:
InChI=1S/C9H10N2O2/c1-12-6-3-8(11)7(5-10)9(4-6)13-2/h3-4H,11H2,1-2H3
InChI Key:
MMLLIZJCTNVTMW-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1C#N)N
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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