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95091-66-0 | 1H-Indole-4-carboxaldehyde, 7-methoxy-2,3-diphenyl-
CAS No: 95091-66-0 Catalog No: AG006PTO MDL No:
Product Description
Catalog Number:
AG006PTO
Chemical Name:
1H-Indole-4-carboxaldehyde, 7-methoxy-2,3-diphenyl-
CAS Number:
95091-66-0
Molecular Formula:
C22H17NO2
Molecular Weight:
327.3759
IUPAC Name:
7-methoxy-2,3-diphenyl-1H-indole-4-carbaldehyde
InChI:
InChI=1S/C22H17NO2/c1-25-18-13-12-17(14-24)20-19(15-8-4-2-5-9-15)21(23-22(18)20)16-10-6-3-7-11-16/h2-14,23H,1H3
InChI Key:
QCLDMAYKADRBPN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c2c1c(c1ccccc1)c([nH]2)c1ccccc1)OC
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.383g/mol
Monoisotopic Mass:
327.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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