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66909-31-7 | 5-(Methoxycarbonyl)-3-Methyl-2-pyridone
CAS No: 66909-31-7 Catalog No: AG00FY1U MDL No:MFCD21087788
Product Description
Catalog Number:
AG00FY1U
Chemical Name:
5-(Methoxycarbonyl)-3-Methyl-2-pyridone
CAS Number:
66909-31-7
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD21087788
IUPAC Name:
methyl 5-methyl-6-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C8H9NO3/c1-5-3-6(8(11)12-2)4-9-7(5)10/h3-4H,1-2H3,(H,9,10)
InChI Key:
SANWLADGJPSXJN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(c(c1)C)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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