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Home > Indoles and Oxindole > 920300-32-9
920300-32-9 | 1H-Benz[e]isoindol-1-one, 2,3-dihydro-3-[(2-hydroxyethyl)thio]-
CAS No: 920300-32-9 Catalog No: AG006EPV MDL No:
Product Description
Catalog Number:
AG006EPV
Chemical Name:
1H-Benz[e]isoindol-1-one, 2,3-dihydro-3-[(2-hydroxyethyl)thio]-
CAS Number:
920300-32-9
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
IUPAC Name:
3-(2-hydroxyethylsulfanyl)-2,3-dihydrobenzo[g]isoindol-1-one
InChI:
InChI=1S/C14H13NO2S/c16-7-8-18-14-11-6-5-9-3-1-2-4-10(9)12(11)13(17)15-14/h1-6,14,16H,7-8H2,(H,15,17)
InChI Key:
PXURTFDNQCOURP-UHFFFAOYSA-N
SMILES:
OCCSC1NC(=O)c2c1ccc1c2cccc1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.323g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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