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Home > Indoles and Oxindole > 249764-70-3
249764-70-3 | 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-(1-methyl-1-phenylethyl)-
CAS No: 249764-70-3 Catalog No: AG002Q2D MDL No:
Product Description
Catalog Number:
AG002Q2D
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-(1-methyl-1-phenylethyl)-
CAS Number:
249764-70-3
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
IUPAC Name:
3-hydroxy-2-(2-phenylpropan-2-yl)-3H-isoindol-1-one
InChI:
InChI=1S/C17H17NO2/c1-17(2,12-8-4-3-5-9-12)18-15(19)13-10-6-7-11-14(13)16(18)20/h3-11,15,19H,1-2H3
InChI Key:
KJAMARCGRNWFNO-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(N1C(c1ccccc1)(C)C)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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