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Home > Indoles and Oxindole > 1421922-95-3
1421922-95-3 | 1H-Isoindol-1-one, 5-acetyl-2,3-dihydro-
CAS No: 1421922-95-3 Catalog No: AG001HXC MDL No:
Product Description
Catalog Number:
AG001HXC
Chemical Name:
1H-Isoindol-1-one, 5-acetyl-2,3-dihydro-
CAS Number:
1421922-95-3
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
5-acetyl-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C10H9NO2/c1-6(12)7-2-3-9-8(4-7)5-11-10(9)13/h2-4H,5H2,1H3,(H,11,13)
InChI Key:
HZYYOSSJNNELLX-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)CNC2=O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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