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90701-91-0 | Oxazole, 4,5-dihydro-5-[(methylthio)methylene]-2-phenyl-, (E)-
CAS No: 90701-91-0 Catalog No: AG006MU4 MDL No:
Product Description
Catalog Number:
AG006MU4
Chemical Name:
Oxazole, 4,5-dihydro-5-[(methylthio)methylene]-2-phenyl-, (E)-
CAS Number:
90701-91-0
Molecular Formula:
C11H11NOS
Molecular Weight:
205.2761
IUPAC Name:
5-(methylsulfanylmethylidene)-2-phenyl-4H-1,3-oxazole
InChI:
InChI=1S/C11H11NOS/c1-14-8-10-7-12-11(13-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:
ZDPKAKMVDZZWLK-UHFFFAOYSA-N
SMILES:
CS/C=C/1\CN=C(O1)c1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.275g/mol
Monoisotopic Mass:
205.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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