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88499-68-7 | Methyl 4,6-dioxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS No: 88499-68-7 Catalog No: AG00495K MDL No:MFCD20921955
Product Description
Catalog Number:
AG00495K
Chemical Name:
Methyl 4,6-dioxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CAS Number:
88499-68-7
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD20921955
IUPAC Name:
methyl 4-hydroxy-2-oxo-3H-pyridine-5-carboxylate
InChI:
InChI=1S/C7H7NO4/c1-12-7(11)4-3-8-6(10)2-5(4)9/h3,9H,2H2,1H3
InChI Key:
JQHUUHKTKYZUGU-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CNC(=O)CC1=O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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