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898759-41-6 | 2-(3,5,5-TRIMETHYLHEXANOYL)OXAZOLE
CAS No: 898759-41-6 Catalog No: AG00GWG1 MDL No:
Product Description
Catalog Number:
AG00GWG1
Chemical Name:
2-(3,5,5-TRIMETHYLHEXANOYL)OXAZOLE
CAS Number:
898759-41-6
IUPAC Name:
3,5,5-trimethyl-1-(1,3-oxazol-2-yl)hexan-1-one
InChI:
InChI=1S/C12H19NO2/c1-9(8-12(2,3)4)7-10(14)11-13-5-6-15-11/h5-6,9H,7-8H2,1-4H3
InChI Key:
IDTYHIAFQPYQMS-UHFFFAOYSA-N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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