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155863-36-8 | 1H-Pyrrole-2,5-dione, 1-[2-[(methylsulfonyl)oxy]ethyl]-
CAS No: 155863-36-8 Catalog No: AG001OAY MDL No:
Product Description
Catalog Number:
AG001OAY
Chemical Name:
1H-Pyrrole-2,5-dione, 1-[2-[(methylsulfonyl)oxy]ethyl]-
CAS Number:
155863-36-8
Molecular Formula:
C7H9NO5S
Molecular Weight:
219.2151
IUPAC Name:
2-(2,5-dioxopyrrol-1-yl)ethyl methanesulfonate
InChI:
InChI=1S/C7H9NO5S/c1-14(11,12)13-5-4-8-6(9)2-3-7(8)10/h2-3H,4-5H2,1H3
InChI Key:
PMKKIDFHWBBGDA-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1CCOS(=O)(=O)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.211g/mol
Monoisotopic Mass:
219.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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