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Home > Indoles and Oxindole > 874100-57-9
874100-57-9 | 2-(3-methylsulfanyl-propoxy)-isoindole-1,3-dione
CAS No: 874100-57-9 Catalog No: AG00H3TS MDL No:
Product Description
Catalog Number:
AG00H3TS
Chemical Name:
2-(3-methylsulfanyl-propoxy)-isoindole-1,3-dione
CAS Number:
874100-57-9
IUPAC Name:
2-(3-methylsulfanylpropoxy)isoindole-1,3-dione
InChI:
InChI=1S/C12H13NO3S/c1-17-8-4-7-16-13-11(14)9-5-2-3-6-10(9)12(13)15/h2-3,5-6H,4,7-8H2,1H3
InChI Key:
MRZCRYOZMUJACO-UHFFFAOYSA-N
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.3g/mol
Monoisotopic Mass:
251.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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