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1438382-15-0 | 2(1H)-Pyridinone, 3-(aminomethyl)-4-methoxy-6-methyl-
CAS No: 1438382-15-0 Catalog No: AG001IGO MDL No:MFCD27952025
Product Description
Catalog Number:
AG001IGO
Chemical Name:
2(1H)-Pyridinone, 3-(aminomethyl)-4-methoxy-6-methyl-
CAS Number:
1438382-15-0
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD27952025
IUPAC Name:
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one
InChI:
InChI=1S/C8H12N2O2/c1-5-3-7(12-2)6(4-9)8(11)10-5/h3H,4,9H2,1-2H3,(H,10,11)
InChI Key:
DOEQLKDKJVHZND-UHFFFAOYSA-N
SMILES:
COc1cc(C)[nH]c(=O)c1CN
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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