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133300-45-5

133300-45-5 | 3-Pyridinecarboximidic acid, N-cyano-, 1-methylethyl ester

CAS No: 133300-45-5 Catalog No: AG0014KR MDL No:

Product Description

Catalog Number:
AG0014KR
Chemical Name:
3-Pyridinecarboximidic acid, N-cyano-, 1-methylethyl ester
CAS Number:
133300-45-5
Molecular Formula:
C10H11N3O
Molecular Weight:
189.2138
IUPAC Name:
propan-2-yl N-cyanopyridine-3-carboximidate
InChI:
InChI=1S/C10H11N3O/c1-8(2)14-10(13-7-11)9-4-3-5-12-6-9/h3-6,8H,1-2H3
InChI Key:
KOMSUVIZQZJVNU-UHFFFAOYSA-N
SMILES:
N#CN=C(c1cccnc1)OC(C)C

Properties

Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.218g/mol
Monoisotopic Mass:
189.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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