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Home > Indoles and Oxindole > 91989-72-9
91989-72-9 | 1H-Isoindole-1,3(2H)-dione, 2-[(3-methoxy-5-isothiazolyl)methyl]-
CAS No: 91989-72-9 Catalog No: AG0064ID MDL No:MFCD29906864
Product Description
Catalog Number:
AG0064ID
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(3-methoxy-5-isothiazolyl)methyl]-
CAS Number:
91989-72-9
Molecular Formula:
C13H10N2O3S
Molecular Weight:
274.2951
MDL Number:
MFCD29906864
IUPAC Name:
2-[(3-methoxy-1,2-thiazol-5-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C13H10N2O3S/c1-18-11-6-8(19-14-11)7-15-12(16)9-4-2-3-5-10(9)13(15)17/h2-6H,7H2,1H3
InChI Key:
BOUJKINUNFIUOM-UHFFFAOYSA-N
SMILES:
COc1nsc(c1)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.294g/mol
Monoisotopic Mass:
274.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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