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128648-56-6 | 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl methanesulfonate
CAS No: 128648-56-6 Catalog No: AG01A7KD MDL No:MFCD06434694
Product Description
Catalog Number:
AG01A7KD
Chemical Name:
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl methanesulfonate
CAS Number:
128648-56-6
Molecular Formula:
C11H11NO5S
Molecular Weight:
269.2737
MDL Number:
MFCD06434694
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)ethyl methanesulfonate
InChI:
InChI=1S/C11H11NO5S/c1-18(15,16)17-7-6-12-10(13)8-4-2-3-5-9(8)11(12)14/h2-5H,6-7H2,1H3
InChI Key:
HPLFXWOGOZXMAA-UHFFFAOYSA-N
SMILES:
O=C1N(CCOS(=O)(=O)C)C(=O)c2c1cccc2
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.271g/mol
Monoisotopic Mass:
269.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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