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89767-48-6 | 3H-Benz[e]indole-2-carboxylic acid, 4-methoxy-1-phenyl-, ethyl ester
CAS No: 89767-48-6 Catalog No: AG0040J4 MDL No:
Product Description
Catalog Number:
AG0040J4
Chemical Name:
3H-Benz[e]indole-2-carboxylic acid, 4-methoxy-1-phenyl-, ethyl ester
CAS Number:
89767-48-6
Molecular Formula:
C22H19NO3
Molecular Weight:
345.3912
IUPAC Name:
ethyl 4-methoxy-1-phenyl-3H-benzo[e]indole-2-carboxylate
InChI:
InChI=1S/C22H19NO3/c1-3-26-22(24)21-18(14-9-5-4-6-10-14)19-16-12-8-7-11-15(16)13-17(25-2)20(19)23-21/h4-13,23H,3H2,1-2H3
InChI Key:
BAHGNAAJCVFORN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1c1ccccc1)c1ccccc1cc2OC
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.136g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.398g/mol
Monoisotopic Mass:
345.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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