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Home > Indoles and Oxindole > 88150-26-9
88150-26-9 | 1H-Indole, 1-(1-oxo-2-propenyl)-
CAS No: 88150-26-9 Catalog No: AG004D37 MDL No:
Product Description
Catalog Number:
AG004D37
Chemical Name:
1H-Indole, 1-(1-oxo-2-propenyl)-
CAS Number:
88150-26-9
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
IUPAC Name:
1-indol-1-ylprop-2-en-1-one
InChI:
InChI=1S/C11H9NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-8H,1H2
InChI Key:
OBZWRPZXSLXBOL-UHFFFAOYSA-N
SMILES:
C=CC(=O)n1ccc2c1cccc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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