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36149-66-3 | 1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carbaldehyde
CAS No: 36149-66-3 Catalog No: AG01EVPA MDL No:
Product Description
Catalog Number:
AG01EVPA
Chemical Name:
1-Ethyl-5-methoxy-2-methyl-1H-indole-3-carbaldehyde
CAS Number:
36149-66-3
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
1-ethyl-5-methoxy-2-methylindole-3-carbaldehyde
InChI:
InChI=1S/C13H15NO2/c1-4-14-9(2)12(8-15)11-7-10(16-3)5-6-13(11)14/h5-8H,4H2,1-3H3
InChI Key:
SGCYPGGANRMDOS-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)n(c2c1cc(OC)cc2)CC
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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