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Home > Indoles and Oxindole > 24223-70-9
24223-70-9 | 1H-Isoindole-1,3(2H)-dione,2-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-
CAS No: 24223-70-9 Catalog No: AG006X54 MDL No:MFCD00178697
Product Description
Catalog Number:
AG006X54
Chemical Name:
1H-Isoindole-1,3(2H)-dione,2-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-
CAS Number:
24223-70-9
Molecular Formula:
C17H14N2O6
Molecular Weight:
342.3029
MDL Number:
MFCD00178697
IUPAC Name:
2-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]isoindole-1,3-dione
InChI:
InChI=1S/C17H14N2O6/c20-9-14(15(21)10-5-7-11(8-6-10)19(24)25)18-16(22)12-3-1-2-4-13(12)17(18)23/h1-8,14-15,20-21H,9H2
InChI Key:
OXGKHXMLXGRJQR-UHFFFAOYSA-N
SMILES:
OCC(N1C(=O)c2c(C1=O)cccc2)C(c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.085g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.307g/mol
Monoisotopic Mass:
342.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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