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Home > Indoles and Oxindole > 3335-86-2
3335-86-2 | 2H-Indol-2-one, 1,3-dihydro-3-hydroxy-1-methyl-
CAS No: 3335-86-2 Catalog No: AG007FVL MDL No:MFCD04971407
Product Description
Catalog Number:
AG007FVL
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-hydroxy-1-methyl-
CAS Number:
3335-86-2
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD04971407
IUPAC Name:
3-hydroxy-1-methyl-3H-indol-2-one
InChI:
InChI=1S/C9H9NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5,8,11H,1H3
InChI Key:
KNLWAPGJCIOBDC-UHFFFAOYSA-N
SMILES:
O=C1C(O)c2c(N1C)cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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