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89767-46-4 | 3H-Benz[e]indole-2-carboxylic acid, 5-ethoxy-1-phenyl-, ethyl ester
CAS No: 89767-46-4 Catalog No: AG0040J5 MDL No:
Product Description
Catalog Number:
AG0040J5
Chemical Name:
3H-Benz[e]indole-2-carboxylic acid, 5-ethoxy-1-phenyl-, ethyl ester
CAS Number:
89767-46-4
Molecular Formula:
C23H21NO3
Molecular Weight:
359.4177
IUPAC Name:
ethyl 5-ethoxy-1-phenyl-3H-benzo[e]indole-2-carboxylate
InChI:
InChI=1S/C23H21NO3/c1-3-26-19-14-18-21(17-13-9-8-12-16(17)19)20(15-10-6-5-7-11-15)22(24-18)23(25)27-4-2/h5-14,24H,3-4H2,1-2H3
InChI Key:
JOZIZOBXFSBWPR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1c1ccccc1)c1ccccc1c(c2)OCC
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.152g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.425g/mol
Monoisotopic Mass:
359.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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