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Home > Indoles and Oxindole > 154696-52-3
154696-52-3 | 1H-Isoindole-1,3(2H)-dione, 2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-
CAS No: 154696-52-3 Catalog No: AG007XFT MDL No:
Product Description
Catalog Number:
AG007XFT
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[6-(hydroxymethyl)-2-pyridinyl]methyl]-
CAS Number:
154696-52-3
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
IUPAC Name:
2-[[6-(hydroxymethyl)pyridin-2-yl]methyl]isoindole-1,3-dione
InChI:
InChI=1S/C15H12N2O3/c18-9-11-5-3-4-10(16-11)8-17-14(19)12-6-1-2-7-13(12)15(17)20/h1-7,18H,8-9H2
InChI Key:
MNAYJXBJMNCVCZ-UHFFFAOYSA-N
SMILES:
OCc1cccc(n1)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.272g/mol
Monoisotopic Mass:
268.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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