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88991-49-5 | 5(4H)-Oxazolone, 4-[(5-methyl-2-thienyl)methylene]-2-phenyl-, (Z)-
CAS No: 88991-49-5 Catalog No: AG004670 MDL No:
Product Description
Catalog Number:
AG004670
Chemical Name:
5(4H)-Oxazolone, 4-[(5-methyl-2-thienyl)methylene]-2-phenyl-, (Z)-
CAS Number:
88991-49-5
Molecular Formula:
C15H11NO2S
Molecular Weight:
269.3183
IUPAC Name:
4-[(5-methylthiophen-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C15H11NO2S/c1-10-7-8-12(19-10)9-13-15(17)18-14(16-13)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
BQRHRIOJVGAWQK-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)/C=C/1\N=C(OC1=O)c1ccccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.318g/mol
Monoisotopic Mass:
269.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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