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4211-90-9 | 3-Ethyl-5-phenylisoxazole
CAS No: 4211-90-9 Catalog No: AG00CUBK MDL No:
Product Description
Catalog Number:
AG00CUBK
Chemical Name:
3-Ethyl-5-phenylisoxazole
CAS Number:
4211-90-9
IUPAC Name:
3-ethyl-5-phenyl-1,2-oxazole
InChI:
InChI=1S/C11H11NO/c1-2-10-8-11(13-12-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key:
ZGLWUJVEEZGKDQ-UHFFFAOYSA-N
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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