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139179-03-6 | 4H-Quinolizine-3-carboxylic acid, 8-chloro-1-ethyl-4-oxo-, ethyl ester
CAS No: 139179-03-6 Catalog No: AG001AFX MDL No:MFCD08234991
Product Description
Catalog Number:
AG001AFX
Chemical Name:
4H-Quinolizine-3-carboxylic acid, 8-chloro-1-ethyl-4-oxo-, ethyl ester
CAS Number:
139179-03-6
Molecular Formula:
C14H14ClNO3
Molecular Weight:
279.7189
MDL Number:
MFCD08234991
IUPAC Name:
ethyl 8-chloro-1-ethyl-4-oxoquinolizine-3-carboxylate
InChI:
InChI=1S/C14H14ClNO3/c1-3-9-7-11(14(18)19-4-2)13(17)16-6-5-10(15)8-12(9)16/h5-8H,3-4H2,1-2H3
InChI Key:
CJWXJLFLVDOUPP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(CC)c2n(c1=O)ccc(c2)Cl
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.066g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.72g/mol
Monoisotopic Mass:
279.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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