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Home > Aldehydes > 137206-91-8
137206-91-8 | 1H-Indole-3-carboxaldehyde, 1-methyl-2-(4-methylphenyl)-
CAS No: 137206-91-8 Catalog No: AG0012XJ MDL No:
Product Description
Catalog Number:
AG0012XJ
Chemical Name:
1H-Indole-3-carboxaldehyde, 1-methyl-2-(4-methylphenyl)-
CAS Number:
137206-91-8
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
IUPAC Name:
1-methyl-2-(4-methylphenyl)indole-3-carbaldehyde
InChI:
InChI=1S/C17H15NO/c1-12-7-9-13(10-8-12)17-15(11-19)14-5-3-4-6-16(14)18(17)2/h3-11H,1-2H3
InChI Key:
NVKHTCYIZXFUOE-UHFFFAOYSA-N
SMILES:
O=Cc1c(c2ccc(cc2)C)n(c2c1cccc2)C
Properties
Complexity:
321
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:
3.5
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