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23253-51-2 | 5-Isoxazolol, 3-phenyl-
CAS No: 23253-51-2 Catalog No: AG002MNX MDL No:MFCD02380080
Product Description
Catalog Number:
AG002MNX
Chemical Name:
5-Isoxazolol, 3-phenyl-
CAS Number:
23253-51-2
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD02380080
IUPAC Name:
3-phenyl-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-6,10H
InChI Key:
JJZNCUHIYJBAMS-UHFFFAOYSA-N
SMILES:
Oc1onc(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:
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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