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Home > Indoles and Oxindole > 29879-71-8
29879-71-8 | 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2,3-dimethyl-
CAS No: 29879-71-8 Catalog No: AG007K18 MDL No:
Product Description
Catalog Number:
AG007K18
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2,3-dimethyl-
CAS Number:
29879-71-8
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
3-hydroxy-2,3-dimethylisoindol-1-one
InChI:
InChI=1S/C10H11NO2/c1-10(13)8-6-4-3-5-7(8)9(12)11(10)2/h3-6,13H,1-2H3
InChI Key:
MISNTQJLWCAVKQ-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(N1C)(C)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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