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1008138-73-5 | 3-Pyridinecarboxylic acid, 5-amino-6-methyl-, ethyl ester
CAS No: 1008138-73-5 Catalog No: AG0002XJ MDL No:MFCD18256589
Product Description
Catalog Number:
AG0002XJ
Chemical Name:
3-Pyridinecarboxylic acid, 5-amino-6-methyl-, ethyl ester
CAS Number:
1008138-73-5
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD18256589
IUPAC Name:
ethyl 5-amino-6-methylpyridine-3-carboxylate
InChI:
InChI=1S/C9H12N2O2/c1-3-13-9(12)7-4-8(10)6(2)11-5-7/h4-5H,3,10H2,1-2H3
InChI Key:
LKGZPPSZEDDGAG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(c(c1)N)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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