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146603-90-9 | 4-Pyridinecarboxylic acid, 2-[(dimethylamino)carbonyl]-, methyl ester
CAS No: 146603-90-9 Catalog No: AG001E79 MDL No:
Product Description
Catalog Number:
AG001E79
Chemical Name:
4-Pyridinecarboxylic acid, 2-[(dimethylamino)carbonyl]-, methyl ester
CAS Number:
146603-90-9
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
IUPAC Name:
methyl 2-(dimethylcarbamoyl)pyridine-4-carboxylate
InChI:
InChI=1S/C10H12N2O3/c1-12(2)9(13)8-6-7(4-5-11-8)10(14)15-3/h4-6H,1-3H3
InChI Key:
FSWQZVNCDIZMON-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1)C(=O)N(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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