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17147-69-2 | 5(2H)-Isoxazolone,4-phenyl-(9CI)
CAS No: 17147-69-2 Catalog No: AG00B5UW MDL No:
Product Description
Catalog Number:
AG00B5UW
Chemical Name:
5(2H)-Isoxazolone,4-phenyl-(9CI)
CAS Number:
17147-69-2
IUPAC Name:
4-phenyl-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C9H7NO2/c11-9-8(6-10-12-9)7-4-2-1-3-5-7/h1-6,10H
InChI Key:
KYGNTQNHPFNJRL-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:
1
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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