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120083-59-2 | 2,3-Pyridinedicarboxylic acid, 5-(methoxymethyl)-, 2,3-diethyl ester
CAS No: 120083-59-2 Catalog No: AG000Q9H MDL No:
Product Description
Catalog Number:
AG000Q9H
Chemical Name:
2,3-Pyridinedicarboxylic acid, 5-(methoxymethyl)-, 2,3-diethyl ester
CAS Number:
120083-59-2
Molecular Formula:
C13H17NO5
Molecular Weight:
267.2778
IUPAC Name:
diethyl 5-(methoxymethyl)pyridine-2,3-dicarboxylate
InChI:
InChI=1S/C13H17NO5/c1-4-18-12(15)10-6-9(8-17-3)7-14-11(10)13(16)19-5-2/h6-7H,4-5,8H2,1-3H3
InChI Key:
UUJUSJLHSWGXPA-UHFFFAOYSA-N
SMILES:
COCc1cnc(c(c1)C(=O)OCC)C(=O)OCC
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.281g/mol
Monoisotopic Mass:
267.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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