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76015-11-7 | 3-Methoxy-2-methylpyridin-4(1H);-one
CAS No: 76015-11-7 Catalog No: AG003JMO MDL No:MFCD03093994
Product Description
Catalog Number:
AG003JMO
Chemical Name:
3-Methoxy-2-methylpyridin-4(1H);-one
CAS Number:
76015-11-7
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD03093994
IUPAC Name:
3-methoxy-2-methyl-1H-pyridin-4-one
InChI:
InChI=1S/C7H9NO2/c1-5-7(10-2)6(9)3-4-8-5/h3-4H,1-2H3,(H,8,9)
InChI Key:
GNWSQENQZGWCSW-UHFFFAOYSA-N
SMILES:
COc1c(C)[nH]ccc1=O
NSC Number:
283471
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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