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Home > Indoles and Oxindole > 91123-57-8
91123-57-8 | 2-Butenedioic acid, 2-(2-phenyl-3-indolizinyl)-, diethyl ester, (E)-
CAS No: 91123-57-8 Catalog No: AG006QSI MDL No:
Product Description
Catalog Number:
AG006QSI
Chemical Name:
2-Butenedioic acid, 2-(2-phenyl-3-indolizinyl)-, diethyl ester, (E)-
CAS Number:
91123-57-8
Molecular Formula:
C22H21NO4
Molecular Weight:
363.4064
IUPAC Name:
diethyl 2-(2-phenylindolizin-3-yl)but-2-enedioate
InChI:
InChI=1S/C22H21NO4/c1-3-26-20(24)15-19(22(25)27-4-2)21-18(16-10-6-5-7-11-16)14-17-12-8-9-13-23(17)21/h5-15H,3-4H2,1-2H3
InChI Key:
GLYUMJSDCSAEHE-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/C(=O)OCC)/c1c(cc2n1cccc2)c1ccccc1
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.147g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.413g/mol
Monoisotopic Mass:
363.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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