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Home > Aldehydes > 123731-76-0
123731-76-0 | 1H-Indole-2-carboxaldehyde, 3-methyl-1-(3-methyl-2-buten-1-yl)-
CAS No: 123731-76-0 Catalog No: AG000L00 MDL No:
Product Description
Catalog Number:
AG000L00
Chemical Name:
1H-Indole-2-carboxaldehyde, 3-methyl-1-(3-methyl-2-buten-1-yl)-
CAS Number:
123731-76-0
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
IUPAC Name:
3-methyl-1-(3-methylbut-2-enyl)indole-2-carbaldehyde
InChI:
InChI=1S/C15H17NO/c1-11(2)8-9-16-14-7-5-4-6-13(14)12(3)15(16)10-17/h4-8,10H,9H2,1-3H3
InChI Key:
XJTFPECHOUOZDX-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)c2c(n1CC=C(C)C)cccc2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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