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177961-90-9 | 3-Thiopheneacetic acid, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 177961-90-9 Catalog No: AG0025OK MDL No:
Product Description
Catalog Number:
AG0025OK
Chemical Name:
3-Thiopheneacetic acid, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
177961-90-9
Molecular Formula:
C10H9NO4S
Molecular Weight:
239.2478
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 2-thiophen-3-ylacetate
InChI:
InChI=1S/C10H9NO4S/c12-8-1-2-9(13)11(8)15-10(14)5-7-3-4-16-6-7/h3-4,6H,1-2,5H2
InChI Key:
IXHDOMZFBCFOKZ-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)Cc1cscc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.245g/mol
Monoisotopic Mass:
239.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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