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Home > Indoles and Oxindole > 132456-42-9
132456-42-9 | 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-(2-propyn-1-yl)-
CAS No: 132456-42-9 Catalog No: AG0010PF MDL No:
Product Description
Catalog Number:
AG0010PF
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-(2-propyn-1-yl)-
CAS Number:
132456-42-9
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
IUPAC Name:
3-hydroxy-2-prop-2-ynyl-3H-isoindol-1-one
InChI:
InChI=1S/C11H9NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h1,3-6,10,13H,7H2
InChI Key:
ZTKUFTIOAQEWGQ-UHFFFAOYSA-N
SMILES:
C#CCN1C(O)c2c(C1=O)cccc2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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