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831224-99-8 | Oxazole, 4,5-dihydro-4,4-dimethyl-2-(5-methyl-1-oxaspiro[2.5]oct-2-yl)-
CAS No: 831224-99-8 Catalog No: AG005A8E MDL No:
Product Description
Catalog Number:
AG005A8E
Chemical Name:
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(5-methyl-1-oxaspiro[2.5]oct-2-yl)-
CAS Number:
831224-99-8
Molecular Formula:
C13H21NO2
Molecular Weight:
223.3113
IUPAC Name:
4,4-dimethyl-2-(5-methyl-1-oxaspiro[2.5]octan-2-yl)-5H-1,3-oxazole
InChI:
InChI=1S/C13H21NO2/c1-9-5-4-6-13(7-9)10(16-13)11-14-12(2,3)8-15-11/h9-10H,4-8H2,1-3H3
InChI Key:
CSMCYPLHBHIWTR-UHFFFAOYSA-N
SMILES:
CC1CCCC2(C1)OC2C1=NC(CO1)(C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.316g/mol
Monoisotopic Mass:
223.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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