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Home > Indoles and Oxindole > 88109-97-1
88109-97-1 | 1H-Indole-3-acetonitrile, 2-methyl-1-(3-oxo-1-butenyl)-
CAS No: 88109-97-1 Catalog No: AG004IS3 MDL No:
Product Description
Catalog Number:
AG004IS3
Chemical Name:
1H-Indole-3-acetonitrile, 2-methyl-1-(3-oxo-1-butenyl)-
CAS Number:
88109-97-1
Molecular Formula:
C15H14N2O
Molecular Weight:
238.2845
IUPAC Name:
2-[2-methyl-1-(3-oxobut-1-enyl)indol-3-yl]acetonitrile
InChI:
InChI=1S/C15H14N2O/c1-11(18)8-10-17-12(2)13(7-9-16)14-5-3-4-6-15(14)17/h3-6,8,10H,7H2,1-2H3
InChI Key:
ZLRWZSYGDFBFOT-UHFFFAOYSA-N
SMILES:
N#CCc1c(C)n(c2c1cccc2)C=CC(=O)C
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.29g/mol
Monoisotopic Mass:
238.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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