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Home > Indoles and Oxindole > 109803-65-8
109803-65-8 | 5-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one
CAS No: 109803-65-8 Catalog No: AG01A3Z2 MDL No:MFCD12924811
Product Description
Catalog Number:
AG01A3Z2
Chemical Name:
5-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one
CAS Number:
109803-65-8
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD12924811
IUPAC Name:
5-hydroxy-2-methyl-3H-isoindol-1-one
InChI:
InChI=1S/C9H9NO2/c1-10-5-6-4-7(11)2-3-8(6)9(10)12/h2-4,11H,5H2,1H3
InChI Key:
IQMXSOJFRNHTRP-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CN(C2=O)C
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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