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25755-80-0 | 5-(Methylthio)-3-phenylisoxazole
CAS No: 25755-80-0 Catalog No: AG00CDGQ MDL No:
Product Description
Catalog Number:
AG00CDGQ
Chemical Name:
5-(Methylthio)-3-phenylisoxazole
CAS Number:
25755-80-0
IUPAC Name:
5-methylsulfanyl-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C10H9NOS/c1-13-10-7-9(11-12-10)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
CCUUBLRAMGCOOB-UHFFFAOYSA-N
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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