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Home > Indoles and Oxindole > 70451-01-3
70451-01-3 | 1H-Isoindole-1,3(2H)-dione, 2-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-
CAS No: 70451-01-3 Catalog No: AG00IC2D MDL No:
Product Description
Catalog Number:
AG00IC2D
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-
CAS Number:
70451-01-3
IUPAC Name:
2-[(2S)-1-hydroxy-3-phenylpropan-2-yl]isoindole-1,3-dione
InChI:
InChI=1S/C17H15NO3/c19-11-13(10-12-6-2-1-3-7-12)18-16(20)14-8-4-5-9-15(14)17(18)21/h1-9,13,19H,10-11H2/t13-/m0/s1
InChI Key:
WUQQWFQBZMAJLS-ZDUSSCGKSA-N
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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