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101113-14-8 | 4H-Quinolizine-1,3-dicarboxylic acid, 4-imino-, 1,3-diethyl ester
CAS No: 101113-14-8 Catalog No: AG0003S5 MDL No:
Product Description
Catalog Number:
AG0003S5
Chemical Name:
4H-Quinolizine-1,3-dicarboxylic acid, 4-imino-, 1,3-diethyl ester
CAS Number:
101113-14-8
Molecular Formula:
C15H16N2O4
Molecular Weight:
288.2985
IUPAC Name:
diethyl 4-iminoquinolizine-1,3-dicarboxylate
InChI:
InChI=1S/C15H16N2O4/c1-3-20-14(18)10-9-11(15(19)21-4-2)13(16)17-8-6-5-7-12(10)17/h5-9,16H,3-4H2,1-2H3
InChI Key:
YQEGSFXRVIJRPO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C(=O)OCC)c2n(c1=N)cccc2
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.303g/mol
Monoisotopic Mass:
288.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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