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89479-69-6 | 1,4,2-Dioxazole, 3-methyl-5-(3-methyl-5-phenyl-4-isoxazolyl)-
CAS No: 89479-69-6 Catalog No: AG0041MN MDL No:
Product Description
Catalog Number:
AG0041MN
Chemical Name:
1,4,2-Dioxazole, 3-methyl-5-(3-methyl-5-phenyl-4-isoxazolyl)-
CAS Number:
89479-69-6
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
3-methyl-5-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-1,4,2-dioxazole
InChI:
InChI=1S/C13H12N2O3/c1-8-11(13-16-9(2)15-18-13)12(17-14-8)10-6-4-3-5-7-10/h3-7,13H,1-2H3
InChI Key:
NMYINEBJCHQPRQ-UHFFFAOYSA-N
SMILES:
CC1=NOC(O1)c1c(C)noc1c1ccccc1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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