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Home > Indoles and Oxindole > 1021874-48-5
1021874-48-5 | 1H-Isoindol-1-one, 4-acetyl-2,3-dihydro-
CAS No: 1021874-48-5 Catalog No: AG0006UH MDL No:MFCD12924334
Product Description
Catalog Number:
AG0006UH
Chemical Name:
1H-Isoindol-1-one, 4-acetyl-2,3-dihydro-
CAS Number:
1021874-48-5
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD12924334
IUPAC Name:
4-acetyl-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C10H9NO2/c1-6(12)7-3-2-4-8-9(7)5-11-10(8)13/h2-4H,5H2,1H3,(H,11,13)
InChI Key:
INJGIFKZMOGGPT-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc2c1CNC2=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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