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101192-78-3 | 4H-Quinolizine-3-carboxylic acid, 7-butoxy-4-oxo-1-phenyl-, ethyl ester
CAS No: 101192-78-3 Catalog No: AG0003WU MDL No:
Product Description
Catalog Number:
AG0003WU
Chemical Name:
4H-Quinolizine-3-carboxylic acid, 7-butoxy-4-oxo-1-phenyl-, ethyl ester
CAS Number:
101192-78-3
Molecular Formula:
C22H23NO4
Molecular Weight:
365.4223
IUPAC Name:
ethyl 7-butoxy-4-oxo-1-phenylquinolizine-3-carboxylate
InChI:
InChI=1S/C22H23NO4/c1-3-5-13-27-17-11-12-20-18(16-9-7-6-8-10-16)14-19(22(25)26-4-2)21(24)23(20)15-17/h6-12,14-15H,3-5,13H2,1-2H3
InChI Key:
NGWXVBOMSLTNCQ-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc2n(c1)c(=O)c(cc2c1ccccc1)C(=O)OCC
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.429g/mol
Monoisotopic Mass:
365.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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