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94271-08-6 | 2-STYRYL-4-ETHOXYMETHYLENE-5-OXAZOLONE
CAS No: 94271-08-6 Catalog No: AG006CPJ MDL No:
Product Description
Catalog Number:
AG006CPJ
Chemical Name:
2-STYRYL-4-ETHOXYMETHYLENE-5-OXAZOLONE
CAS Number:
94271-08-6
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
(4E)-4-(ethoxymethylidene)-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
InChI:
InChI=1S/C14H13NO3/c1-2-17-10-12-14(16)18-13(15-12)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3/b9-8+,12-10+
InChI Key:
AHMVMWDNUHCKQY-CDKJVOIVSA-N
SMILES:
CCOC=C1N=C(OC1=O)C=Cc1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| IL-33 activates B1 cells and exacerbates contact sensitivity. | Journal of immunology (Baltimore, Md. : 1950) 20110215 |
| 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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