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Home > Indoles and Oxindole > 252061-66-8
252061-66-8 | 1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy-
CAS No: 252061-66-8 Catalog No: AG002QXJ MDL No:MFCD10000830
Product Description
Catalog Number:
AG002QXJ
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy-
CAS Number:
252061-66-8
Molecular Formula:
C8H7NO2
Molecular Weight:
149.1467
MDL Number:
MFCD10000830
IUPAC Name:
5-hydroxy-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-9-8(7)11/h1-3,10H,4H2,(H,9,11)
InChI Key:
NLNNRNIJRFYGFB-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CNC2=O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.149g/mol
Monoisotopic Mass:
149.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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