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1227575-23-6 | 3-Pyridinecarboxylic acid, 2-amino-4-methyl-, ethyl ester
CAS No: 1227575-23-6 Catalog No: AG000JAY MDL No:
Product Description
Catalog Number:
AG000JAY
Chemical Name:
3-Pyridinecarboxylic acid, 2-amino-4-methyl-, ethyl ester
CAS Number:
1227575-23-6
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
ethyl 2-amino-4-methylpyridine-3-carboxylate
InChI:
InChI=1S/C9H12N2O2/c1-3-13-9(12)7-6(2)4-5-11-8(7)10/h4-5H,3H2,1-2H3,(H2,10,11)
InChI Key:
IQIWUTPWDPRYDE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)ccnc1N
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:
1.6
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