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Home > Indoles and Oxindole > 919800-43-4
919800-43-4 | 1H-Isoindol-1-one, 2,3-dihydro-4,7-dihydroxy-2-methyl-
CAS No: 919800-43-4 Catalog No: AG0064IW MDL No:
Product Description
Catalog Number:
AG0064IW
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-4,7-dihydroxy-2-methyl-
CAS Number:
919800-43-4
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
4,7-dihydroxy-2-methyl-3H-isoindol-1-one
InChI:
InChI=1S/C9H9NO3/c1-10-4-5-6(11)2-3-7(12)8(5)9(10)13/h2-3,11-12H,4H2,1H3
InChI Key:
WZXGOCQYCNOIBY-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1C(=O)N(C2)C)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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