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138710-30-2 | 2-Butenoic acid, 4-oxo-4-(2-oxo-3-oxazolidinyl)-, ethyl ester, (E)-
CAS No: 138710-30-2 Catalog No: AG007LP8 MDL No:
Product Description
Catalog Number:
AG007LP8
Chemical Name:
2-Butenoic acid, 4-oxo-4-(2-oxo-3-oxazolidinyl)-, ethyl ester, (E)-
CAS Number:
138710-30-2
Molecular Formula:
C9H11NO5
Molecular Weight:
213.1873
IUPAC Name:
ethyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)but-2-enoate
InChI:
InChI=1S/C9H11NO5/c1-2-14-8(12)4-3-7(11)10-5-6-15-9(10)13/h3-4H,2,5-6H2,1H3
InChI Key:
PURCUCVFIFIHMP-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/C(=O)N1CCOC1=O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.189g/mol
Monoisotopic Mass:
213.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Inhibition of homodimerization of toll-like receptor 4 by 4-oxo-4-(2-oxo-oxazolidin-3-yl)-but-2-enoic acid ethyl ester. | International immunopharmacology 20110101 |
| Suppression of Toll-like receptor 2 or 4 agonist-induced cyclooxygenase-2 expression by 4-oxo-4-(2-oxo-oxazolidin-3-yl)-but-2-enoic acid ethyl ester. | International immunopharmacology 20100201 |
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