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80589-23-7 | 5(4H)-Oxazolone,4-(ethoxymethylene)-2-(2-furanyl)-
CAS No: 80589-23-7 Catalog No: AG00592O MDL No:
Product Description
Catalog Number:
AG00592O
Chemical Name:
5(4H)-Oxazolone,4-(ethoxymethylene)-2-(2-furanyl)-
CAS Number:
80589-23-7
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
IUPAC Name:
(4E)-4-(ethoxymethylidene)-2-(furan-2-yl)-1,3-oxazol-5-one
InChI:
InChI=1S/C10H9NO4/c1-2-13-6-7-10(12)15-9(11-7)8-4-3-5-14-8/h3-6H,2H2,1H3/b7-6+
InChI Key:
FBUXYCJTSXXWBJ-VOTSOKGWSA-N
SMILES:
CCOC=C1N=C(OC1=O)c1ccco1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Fine specificity of the immune response to oxazolones III. Antibodies but not contact sensitivity specific for 2-furyloxazolone are controlled by an Igh-V gene in the mouse. | European journal of immunology 19831201 |
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