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78650-97-2 | 4(5H)-Isoxazolone,3-phenyl-(9CI)
CAS No: 78650-97-2 Catalog No: AG00GH6I MDL No:
Product Description
Catalog Number:
AG00GH6I
Chemical Name:
4(5H)-Isoxazolone,3-phenyl-(9CI)
CAS Number:
78650-97-2
IUPAC Name:
3-phenyl-1,2-oxazol-4-one
InChI:
InChI=1S/C9H7NO2/c11-8-6-12-10-9(8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
ZIDWHWHAJZPMMB-UHFFFAOYSA-N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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