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83824-11-7 | 1H-Indole-1-carboxaldehyde, 3-ethyl-2-phenyl-
CAS No: 83824-11-7 Catalog No: AG0054TU MDL No:
Product Description
Catalog Number:
AG0054TU
Chemical Name:
1H-Indole-1-carboxaldehyde, 3-ethyl-2-phenyl-
CAS Number:
83824-11-7
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
IUPAC Name:
3-ethyl-2-phenylindole-1-carbaldehyde
InChI:
InChI=1S/C17H15NO/c1-2-14-15-10-6-7-11-16(15)18(12-19)17(14)13-8-4-3-5-9-13/h3-12H,2H2,1H3
InChI Key:
PUEHYBQAOIKIBR-UHFFFAOYSA-N
SMILES:
CCc1c(c2ccccc2)n(c2c1cccc2)C=O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.313g/mol
Monoisotopic Mass:
249.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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