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41836-94-6 | 4-BENZOYL-3-PHENYL-5-ISOXAZOLONE
CAS No: 41836-94-6 Catalog No: AG00BZK9 MDL No:
Product Description
Catalog Number:
AG00BZK9
Chemical Name:
4-BENZOYL-3-PHENYL-5-ISOXAZOLONE
CAS Number:
41836-94-6
IUPAC Name:
4-benzoyl-3-phenyl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C16H11NO3/c18-15(12-9-5-2-6-10-12)13-14(17-20-16(13)19)11-7-3-1-4-8-11/h1-10,13H
InChI Key:
SVVFJNDRCLYVHB-UHFFFAOYSA-N
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.268g/mol
Monoisotopic Mass:
265.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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