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102433-78-3 | 3,4,5-Pyridinetricarbonitrile, 2-amino-6-methoxy-
CAS No: 102433-78-3 Catalog No: AG0007HG MDL No:
Product Description
Catalog Number:
AG0007HG
Chemical Name:
3,4,5-Pyridinetricarbonitrile, 2-amino-6-methoxy-
CAS Number:
102433-78-3
Molecular Formula:
C9H5N5O
Molecular Weight:
199.1689
IUPAC Name:
2-amino-6-methoxypyridine-3,4,5-tricarbonitrile
InChI:
InChI=1S/C9H5N5O/c1-15-9-7(4-12)5(2-10)6(3-11)8(13)14-9/h1H3,(H2,13,14)
InChI Key:
FNZQARVPPQEHAV-UHFFFAOYSA-N
SMILES:
COc1nc(N)c(c(c1C#N)C#N)C#N
NSC Number:
135964
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.173g/mol
Monoisotopic Mass:
199.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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