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1000342-55-1 | Propanedioic acid, 2-(6-methoxy-3-nitro-2-pyridinyl)-, 1,3-diethyl ester
CAS No: 1000342-55-1 Catalog No: AG0000JF MDL No:
Product Description
Catalog Number:
AG0000JF
Chemical Name:
Propanedioic acid, 2-(6-methoxy-3-nitro-2-pyridinyl)-, 1,3-diethyl ester
CAS Number:
1000342-55-1
Molecular Formula:
C13H16N2O7
Molecular Weight:
312.2753
IUPAC Name:
diethyl 2-(6-methoxy-3-nitropyridin-2-yl)propanedioate
InChI:
InChI=1S/C13H16N2O7/c1-4-21-12(16)10(13(17)22-5-2)11-8(15(18)19)6-7-9(14-11)20-3/h6-7,10H,4-5H2,1-3H3
InChI Key:
GJPXADGXQCGPKU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1nc(OC)ccc1[N+](=O)[O-])C(=O)OCC
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.278g/mol
Monoisotopic Mass:
312.096g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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