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Home > Indoles and Oxindole > 91568-93-3
91568-93-3 | 2-Propen-1-one, 1-(1-methyl-1H-indol-3-yl)-
CAS No: 91568-93-3 Catalog No: AG00690H MDL No:
Product Description
Catalog Number:
AG00690H
Chemical Name:
2-Propen-1-one, 1-(1-methyl-1H-indol-3-yl)-
CAS Number:
91568-93-3
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
1-(1-methylindol-3-yl)prop-2-en-1-one
InChI:
InChI=1S/C12H11NO/c1-3-12(14)10-8-13(2)11-7-5-4-6-9(10)11/h3-8H,1H2,2H3
InChI Key:
FCDUNGRLUVJCBS-UHFFFAOYSA-N
SMILES:
C=CC(=O)c1cn(c2c1cccc2)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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