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117346-08-4 | 1H-Isoindole-1,3(2H)-dione, 2-(4-amino-2-hydroxyphenyl)-
CAS No: 117346-08-4 Catalog No: AG000E5I MDL No:MFCD00270773
Product Description
Catalog Number:
AG000E5I
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(4-amino-2-hydroxyphenyl)-
CAS Number:
117346-08-4
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
MDL Number:
MFCD00270773
IUPAC Name:
2-(4-amino-2-hydroxyphenyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H10N2O3/c15-8-5-6-11(12(17)7-8)16-13(18)9-3-1-2-4-10(9)14(16)19/h1-7,17H,15H2
InChI Key:
WAHOJSICXGQOJH-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)O)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.245g/mol
Monoisotopic Mass:
254.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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