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Home > Indoles and Oxindole > 31280-44-1
31280-44-1 | 1H-Isoindole-1,3(2H)-dione, 2-[(methylthio)methoxy]-
CAS No: 31280-44-1 Catalog No: AG007HS6 MDL No:
Product Description
Catalog Number:
AG007HS6
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(methylthio)methoxy]-
CAS Number:
31280-44-1
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
IUPAC Name:
2-(methylsulfanylmethoxy)isoindole-1,3-dione
InChI:
InChI=1S/C10H9NO3S/c1-15-6-14-11-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3
InChI Key:
MQQJLEUDWQYOGJ-UHFFFAOYSA-N
SMILES:
CSCON1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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