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68100-05-0 | 2-phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one
CAS No: 68100-05-0 Catalog No: AG006FZE MDL No:
Product Description
Catalog Number:
AG006FZE
Chemical Name:
2-phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5(4h)-one
CAS Number:
68100-05-0
Molecular Formula:
C14H9NO2S
Molecular Weight:
255.2918
IUPAC Name:
(4E)-2-phenyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
InChI:
InChI=1S/C14H9NO2S/c16-14-12(9-11-7-4-8-18-11)15-13(17-14)10-5-2-1-3-6-10/h1-9H/b12-9+
InChI Key:
YWWRMWAWBUHZAY-FMIVXFBMSA-N
SMILES:
O=C1OC(=NC1=Cc1cccs1)c1ccccc1
NSC Number:
157354
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
255.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.291g/mol
Monoisotopic Mass:
255.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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