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Home > Indoles and Oxindole > 1971-50-2
1971-50-2 | 1H-Isoindol-1-one, 2-acetyl-2,3-dihydro-3-hydroxy-
CAS No: 1971-50-2 Catalog No: AG002ALT MDL No:MFCD21337351
Product Description
Catalog Number:
AG002ALT
Chemical Name:
1H-Isoindol-1-one, 2-acetyl-2,3-dihydro-3-hydroxy-
CAS Number:
1971-50-2
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD21337351
IUPAC Name:
2-acetyl-3-hydroxy-3H-isoindol-1-one
InChI:
InChI=1S/C10H9NO3/c1-6(12)11-9(13)7-4-2-3-5-8(7)10(11)14/h2-5,9,13H,1H3
InChI Key:
PRDDEDUJCHEBMI-UHFFFAOYSA-N
SMILES:
CC(=O)N1C(O)c2c(C1=O)cccc2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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