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86193-96-6 | 8-Indolizinecarboxylic acid, 1-hydroxy-2,3-diphenyl-, ethyl ester
CAS No: 86193-96-6 Catalog No: AG004NK9 MDL No:
Product Description
Catalog Number:
AG004NK9
Chemical Name:
8-Indolizinecarboxylic acid, 1-hydroxy-2,3-diphenyl-, ethyl ester
CAS Number:
86193-96-6
Molecular Formula:
C23H19NO3
Molecular Weight:
357.4019
IUPAC Name:
ethyl 1-hydroxy-2,3-diphenylindolizine-8-carboxylate
InChI:
InChI=1S/C23H19NO3/c1-2-27-23(26)18-14-9-15-24-20(17-12-7-4-8-13-17)19(22(25)21(18)24)16-10-5-3-6-11-16/h3-15,25H,2H2,1H3
InChI Key:
IVKROBSCHMXXLB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccn2c1c(O)c(c2c1ccccc1)c1ccccc1
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.136g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.409g/mol
Monoisotopic Mass:
357.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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