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117734-17-5 | 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-
CAS No: 117734-17-5 Catalog No: AG0081FV MDL No:
Product Description
Catalog Number:
AG0081FV
Chemical Name:
5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-
CAS Number:
117734-17-5
Molecular Formula:
C14H9NO2S
Molecular Weight:
255.2918
IUPAC Name:
3-phenyl-4-(thiophen-2-ylmethylidene)-1,2-oxazol-5-one
InChI:
InChI=1S/C14H9NO2S/c16-14-12(9-11-7-4-8-18-11)13(15-17-14)10-5-2-1-3-6-10/h1-9H
InChI Key:
IXRPGYBAKTZNEU-UHFFFAOYSA-N
SMILES:
O=C1ON=C(/C/1=C/c1cccs1)c1ccccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
3.6
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