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Home > Indoles and Oxindole > 166888-25-1
166888-25-1 | 1H-Isoindole-1,3(2H)-dione, 2-[[5-(hydroxymethyl)-2-thienyl]methyl]-
CAS No: 166888-25-1 Catalog No: AG001WYY MDL No:
Product Description
Catalog Number:
AG001WYY
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[5-(hydroxymethyl)-2-thienyl]methyl]-
CAS Number:
166888-25-1
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
IUPAC Name:
2-[[5-(hydroxymethyl)thiophen-2-yl]methyl]isoindole-1,3-dione
InChI:
InChI=1S/C14H11NO3S/c16-8-10-6-5-9(19-10)7-15-13(17)11-3-1-2-4-12(11)14(15)18/h1-6,16H,7-8H2
InChI Key:
ZXZJHLASJGMUJY-UHFFFAOYSA-N
SMILES:
OCc1ccc(s1)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.306g/mol
Monoisotopic Mass:
273.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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