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115306-79-1 | 1H-Isoindole-1,3(2H)-dione, 2-[3-[(methylsulfonyl)oxy]propyl]-
CAS No: 115306-79-1 Catalog No: AG000GL5 MDL No:MFCD09054711
Product Description
Catalog Number:
AG000GL5
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[3-[(methylsulfonyl)oxy]propyl]-
CAS Number:
115306-79-1
Molecular Formula:
C12H13NO5S
Molecular Weight:
283.3003
MDL Number:
MFCD09054711
IUPAC Name:
1-(1,3-dioxoisoindol-2-yl)propyl methanesulfonate
InChI:
InChI=1S/C12H13NO5S/c1-3-10(18-19(2,16)17)13-11(14)8-6-4-5-7-9(8)12(13)15/h4-7,10H,3H2,1-2H3
InChI Key:
NXJVPTNTFQVYAF-UHFFFAOYSA-N
SMILES:
O=C1N(CCCOS(=O)(=O)C)C(=O)c2c1cccc2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.298g/mol
Monoisotopic Mass:
283.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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