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831224-89-6 | Thiazole, 2-(2,5-dimethyl-1-oxaspiro[2.5]oct-2-yl)-4-methyl-
CAS No: 831224-89-6 Catalog No: AG008JOD MDL No:
Product Description
Catalog Number:
AG008JOD
Chemical Name:
Thiazole, 2-(2,5-dimethyl-1-oxaspiro[2.5]oct-2-yl)-4-methyl-
CAS Number:
831224-89-6
Molecular Formula:
C13H19NOS
Molecular Weight:
237.3611
IUPAC Name:
2-(2,5-dimethyl-1-oxaspiro[2.5]octan-2-yl)-4-methyl-1,3-thiazole
InChI:
InChI=1S/C13H19NOS/c1-9-5-4-6-13(7-9)12(3,15-13)11-14-10(2)8-16-11/h8-9H,4-7H2,1-3H3
InChI Key:
OHXSUOUIWCLMKP-UHFFFAOYSA-N
SMILES:
CC1CCCC2(C1)OC2(C)c1scc(n1)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.119g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.361g/mol
Monoisotopic Mass:
237.119g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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