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1646862-02-3 | 2,5-Pyridinedicarboxylic acid, 1-(2,2-dimethoxyethyl)-1,4-dihydro-3-methoxy-4-oxo-, 2,5-dimethyl ester
CAS No: 1646862-02-3 Catalog No: AG001V1L MDL No:
Product Description
Catalog Number:
AG001V1L
Chemical Name:
2,5-Pyridinedicarboxylic acid, 1-(2,2-dimethoxyethyl)-1,4-dihydro-3-methoxy-4-oxo-, 2,5-dimethyl ester
CAS Number:
1646862-02-3
Molecular Formula:
C14H19NO8
Molecular Weight:
329.3026
IUPAC Name:
dimethyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2,5-dicarboxylate
InChI:
InChI=1S/C14H19NO8/c1-19-9(20-2)7-15-6-8(13(17)22-4)11(16)12(21-3)10(15)14(18)23-5/h6,9H,7H2,1-5H3
InChI Key:
LFXUWXFSYMTEEK-UHFFFAOYSA-N
SMILES:
COC(Cn1cc(C(=O)OC)c(=O)c(c1C(=O)OC)OC)OC
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.305g/mol
Monoisotopic Mass:
329.111g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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