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1227581-39-6 | 4-Pyridinecarboxylic acid, 3-aMino-2-Methyl-, Methyl ester
CAS No: 1227581-39-6 Catalog No: AG000JCX MDL No:MFCD16611579
Product Description
Catalog Number:
AG000JCX
Chemical Name:
4-Pyridinecarboxylic acid, 3-aMino-2-Methyl-, Methyl ester
CAS Number:
1227581-39-6
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD16611579
IUPAC Name:
methyl 3-amino-2-methylpyridine-4-carboxylate
InChI:
InChI=1S/C8H10N2O2/c1-5-7(9)6(3-4-10-5)8(11)12-2/h3-4H,9H2,1-2H3
InChI Key:
WKDCUNZSNDZNHH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1N)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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