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75632-85-8 | Isoxazole, 4,4'-(1,2-ethanediyl)bis[3,5-dimethyl-
CAS No: 75632-85-8 Catalog No: AG005ANS MDL No:
Product Description
Catalog Number:
AG005ANS
Chemical Name:
Isoxazole, 4,4'-(1,2-ethanediyl)bis[3,5-dimethyl-
CAS Number:
75632-85-8
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C12H16N2O2/c1-7-11(9(3)15-13-7)5-6-12-8(2)14-16-10(12)4/h5-6H2,1-4H3
InChI Key:
GVQDCAGLTHSOMV-UHFFFAOYSA-N
SMILES:
Cc1onc(c1CCc1c(C)noc1C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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