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89368-17-2 | Oxazole, 2-(2,5-dimethoxy-4-methylphenyl)-4,5-dihydro-4,4-dimethyl-
CAS No: 89368-17-2 Catalog No: AG003YW5 MDL No:
Product Description
Catalog Number:
AG003YW5
Chemical Name:
Oxazole, 2-(2,5-dimethoxy-4-methylphenyl)-4,5-dihydro-4,4-dimethyl-
CAS Number:
89368-17-2
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
2-(2,5-dimethoxy-4-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C14H19NO3/c1-9-6-12(17-5)10(7-11(9)16-4)13-15-14(2,3)8-18-13/h6-7H,8H2,1-5H3
InChI Key:
UEDOFGGPVGKQEJ-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1C1=NC(CO1)(C)C)OC
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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