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Home > Aldehydes > 876898-34-9
876898-34-9 | 1-Isobutyl-5-methoxy-1H-indole-3-carbaldehyde
CAS No: 876898-34-9 Catalog No: AG01EY3O MDL No:
Product Description
Catalog Number:
AG01EY3O
Chemical Name:
1-Isobutyl-5-methoxy-1H-indole-3-carbaldehyde
CAS Number:
876898-34-9
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
IUPAC Name:
5-methoxy-1-(2-methylpropyl)indole-3-carbaldehyde
InChI:
InChI=1S/C14H17NO2/c1-10(2)7-15-8-11(9-16)13-6-12(17-3)4-5-14(13)15/h4-6,8-10H,7H2,1-3H3
InChI Key:
WVJLRAZNAZXVET-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cc(OC)cc2)CC(C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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