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145441-07-2 | Isoxazole,3-[(2,6-dimethylphenoxy)methyl]-5-methyl-
CAS No: 145441-07-2 Catalog No: AG006UJP MDL No:
Product Description
Catalog Number:
AG006UJP
Chemical Name:
Isoxazole,3-[(2,6-dimethylphenoxy)methyl]-5-methyl-
CAS Number:
145441-07-2
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
3-[(2,6-dimethylphenoxy)methyl]-5-methyl-2H-1,3-oxazole
InChI:
InChI=1S/C13H17NO2/c1-10-5-4-6-11(2)13(10)16-9-14-7-12(3)15-8-14/h4-7H,8-9H2,1-3H3
InChI Key:
CZTKVXMYMNOQEG-UHFFFAOYSA-N
SMILES:
CC1=CN(CO1)COc1c(C)cccc1C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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