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Home > Aldehydes > 111735-91-2
111735-91-2 | 1H-Indole-3-carboxaldehyde, 4-butyl-
CAS No: 111735-91-2 Catalog No: AG0078WE MDL No:
Product Description
Catalog Number:
AG0078WE
Chemical Name:
1H-Indole-3-carboxaldehyde, 4-butyl-
CAS Number:
111735-91-2
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
4-butyl-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C13H15NO/c1-2-3-5-10-6-4-7-12-13(10)11(9-15)8-14-12/h4,6-9,14H,2-3,5H2,1H3
InChI Key:
ZSZVCAUHBDKERI-UHFFFAOYSA-N
SMILES:
CCCCc1cccc2c1c(C=O)c[nH]2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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