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Home > Indoles and Oxindole > 72823-31-5
72823-31-5 | 1H-Isoindole-1,3(2H)-dione, 5-hydroxy-2-(4-hydroxyphenyl)-
CAS No: 72823-31-5 Catalog No: AG005EK9 MDL No:
Product Description
Catalog Number:
AG005EK9
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5-hydroxy-2-(4-hydroxyphenyl)-
CAS Number:
72823-31-5
Molecular Formula:
C14H9NO4
Molecular Weight:
255.2256
IUPAC Name:
5-hydroxy-2-(4-hydroxyphenyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H9NO4/c16-9-3-1-8(2-4-9)15-13(18)11-6-5-10(17)7-12(11)14(15)19/h1-7,16-17H
InChI Key:
OCIADEXDJJEVOY-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)O
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.053g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.229g/mol
Monoisotopic Mass:
255.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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