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106726-82-3 | Methyl 5-cyanonicotinate
CAS No: 106726-82-3 Catalog No: AG003RXP MDL No:MFCD07367902
Product Description
Catalog Number:
AG003RXP
Chemical Name:
Methyl 5-cyanonicotinate
CAS Number:
106726-82-3
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD07367902
IUPAC Name:
methyl 5-cyanopyridine-3-carboxylate
InChI:
InChI=1S/C8H6N2O2/c1-12-8(11)7-2-6(3-9)4-10-5-7/h2,4-5H,1H3
InChI Key:
RLUVYUFWNPLVPL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cnc1)C#N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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