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Home > Indoles and Oxindole > 88114-70-9
88114-70-9 | 1H-Indole-3-acetamide, 2-methyl-1-(3-oxo-1-butenyl)-
CAS No: 88114-70-9 Catalog No: AG004IRK MDL No:
Product Description
Catalog Number:
AG004IRK
Chemical Name:
1H-Indole-3-acetamide, 2-methyl-1-(3-oxo-1-butenyl)-
CAS Number:
88114-70-9
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
IUPAC Name:
2-[2-methyl-1-(3-oxobut-1-enyl)indol-3-yl]acetamide
InChI:
InChI=1S/C15H16N2O2/c1-10(18)7-8-17-11(2)13(9-15(16)19)12-5-3-4-6-14(12)17/h3-8H,9H2,1-2H3,(H2,16,19)
InChI Key:
QCFZZDAGDYZVFX-UHFFFAOYSA-N
SMILES:
CC(=O)C=Cn1c(C)c(c2c1cccc2)CC(=O)N
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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