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139183-88-3 | 3-Pyridinecarboxylic acid, 6-[(formylamino)methyl]-, methyl ester
CAS No: 139183-88-3 Catalog No: AG001AGT MDL No:
Product Description
Catalog Number:
AG001AGT
Chemical Name:
3-Pyridinecarboxylic acid, 6-[(formylamino)methyl]-, methyl ester
CAS Number:
139183-88-3
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
IUPAC Name:
methyl 6-(formamidomethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C9H10N2O3/c1-14-9(13)7-2-3-8(11-4-7)5-10-6-12/h2-4,6H,5H2,1H3,(H,10,12)
InChI Key:
SYMKEVSPIBOJBF-UHFFFAOYSA-N
SMILES:
O=CNCc1ccc(cn1)C(=O)OC
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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