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181696-73-1 | 5-Isoxazolol, 4,5-dihydro-5-methyl-3,4-diphenyl-
CAS No: 181696-73-1 Catalog No: AG002315 MDL No:MFCD08693218
Product Description
Catalog Number:
AG002315
Chemical Name:
5-Isoxazolol, 4,5-dihydro-5-methyl-3,4-diphenyl-
CAS Number:
181696-73-1
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
MDL Number:
MFCD08693218
IUPAC Name:
5-methyl-3,4-diphenyl-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
InChI Key:
LOFHVOCXHGAVHL-UHFFFAOYSA-N
SMILES:
CC1(O)ON=C(C1c1ccccc1)c1ccccc1
EC Number:
443-400-4
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/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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