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939-05-9 | 3(2H)-Isoxazolone,5-phenyl-(9CI)
CAS No: 939-05-9 Catalog No: AG00H5N9 MDL No:
Product Description
Catalog Number:
AG00H5N9
Chemical Name:
3(2H)-Isoxazolone,5-phenyl-(9CI)
CAS Number:
939-05-9
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
IUPAC Name:
5-phenyl-1,2-oxazol-3-one
InChI:
InChI=1S/C9H7NO2/c11-9-6-8(12-10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChI Key:
AFVFIJAYAFTQRB-UHFFFAOYSA-N
SMILES:
Oc1noc(c1)c1ccccc1
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:
2
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:
1.4
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