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89773-83-1 | 5(4H)-Isoxazolone, 4-methoxy-3,4-diphenyl-
CAS No: 89773-83-1 Catalog No: AG00400Q MDL No:
Product Description
Catalog Number:
AG00400Q
Chemical Name:
5(4H)-Isoxazolone, 4-methoxy-3,4-diphenyl-
CAS Number:
89773-83-1
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
4-methoxy-3,4-diphenyl-1,2-oxazol-5-one
InChI:
InChI=1S/C16H13NO3/c1-19-16(13-10-6-3-7-11-13)14(17-20-15(16)18)12-8-4-2-5-9-12/h2-11H,1H3
InChI Key:
MOOICJQSEGZZIF-UHFFFAOYSA-N
SMILES:
COC1(C(=O)ON=C1c1ccccc1)c1ccccc1
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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