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Home > Indoles and Oxindole > 91568-92-2
91568-92-2 | 1-(1H-indol-3-yl)-2-methylprop-2-en-1-one
CAS No: 91568-92-2 Catalog No: AG01BBDG MDL No:MFCD15524833
Product Description
Catalog Number:
AG01BBDG
Chemical Name:
1-(1H-indol-3-yl)-2-methylprop-2-en-1-one
CAS Number:
91568-92-2
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD15524833
IUPAC Name:
1-(1H-indol-3-yl)-2-methylprop-2-en-1-one
InChI:
InChI=1S/C12H11NO/c1-8(2)12(14)10-7-13-11-6-4-3-5-9(10)11/h3-7,13H,1H2,2H3
InChI Key:
UAXNAAGIMZSAOW-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
259
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:
1
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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