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1189468-68-5 | 4,5-Dihydro-5-methyl-3,4-diphenyl-5-isoxazolol-13C2, 15N
CAS No: 1189468-68-5 Catalog No: AG008VT1 MDL No:
Product Description
Catalog Number:
AG008VT1
Chemical Name:
4,5-Dihydro-5-methyl-3,4-diphenyl-5-isoxazolol-13C2, 15N
CAS Number:
1189468-68-5
IUPAC Name:
5-(113C)methyl-3,4-diphenyl-(513C,215N)4H-1,2-oxazol-5-ol
InChI:
InChI=1S/C16H15NO2/c1-16(18)14(12-8-4-2-5-9-12)15(17-19-16)13-10-6-3-7-11-13/h2-11,14,18H,1H3/i1+1,16+1,17+1
InChI Key:
LOFHVOCXHGAVHL-JZTCLKRDSA-N
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
3
Molecular Weight:
256.279g/mol
Monoisotopic Mass:
256.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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