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72978-96-2 | 5(4H)-Oxazolone, 4-(phenylmethylene)-2-(2-thienyl)-
CAS No: 72978-96-2 Catalog No: AG005D0T MDL No:
Product Description
Catalog Number:
AG005D0T
Chemical Name:
5(4H)-Oxazolone, 4-(phenylmethylene)-2-(2-thienyl)-
CAS Number:
72978-96-2
Molecular Formula:
C14H9NO2S
Molecular Weight:
255.2918
IUPAC Name:
4-benzylidene-2-thiophen-2-yl-1,3-oxazol-5-one
InChI:
InChI=1S/C14H9NO2S/c16-14-11(9-10-5-2-1-3-6-10)15-13(17-14)12-7-4-8-18-12/h1-9H
InChI Key:
NRPOSXHPIULSKV-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=Cc1ccccc1)c1cccs1
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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