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Home > Aldehydes > 141123-48-0
141123-48-0 | 1H-Indole-3-carboxaldehyde, 1-(3,4,5-trimethoxybenzoyl)-
CAS No: 141123-48-0 Catalog No: AG001FYL MDL No:
Product Description
Catalog Number:
AG001FYL
Chemical Name:
1H-Indole-3-carboxaldehyde, 1-(3,4,5-trimethoxybenzoyl)-
CAS Number:
141123-48-0
Molecular Formula:
C19H17NO5
Molecular Weight:
339.3420
IUPAC Name:
1-(3,4,5-trimethoxybenzoyl)indole-3-carbaldehyde
InChI:
InChI=1S/C19H17NO5/c1-23-16-8-12(9-17(24-2)18(16)25-3)19(22)20-10-13(11-21)14-6-4-5-7-15(14)20/h4-11H,1-3H3
InChI Key:
OZWPUMSCKYGWIN-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)n1cc(c2c1cccc2)C=O
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.347g/mol
Monoisotopic Mass:
339.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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