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Home > Indoles and Oxindole > 1052688-16-0
1052688-16-0 | 2-benzyl-4-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1052688-16-0 Catalog No: AG01C0FS MDL No:MFCD20130402
Product Description
Catalog Number:
AG01C0FS
Chemical Name:
2-benzyl-4-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1052688-16-0
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
MDL Number:
MFCD20130402
IUPAC Name:
2-benzyl-4-hydroxyisoindole-1,3-dione
InChI:
InChI=1S/C15H11NO3/c17-12-8-4-7-11-13(12)15(19)16(14(11)18)9-10-5-2-1-3-6-10/h1-8,17H,9H2
InChI Key:
LSJDIDLQTWIFLE-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1C(=O)N(C2=O)Cc1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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