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898759-08-5 | 2-(4-CYCLOHEXYLBUTYRYL)OXAZOLE
CAS No: 898759-08-5 Catalog No: AG00GXX2 MDL No:
Product Description
Catalog Number:
AG00GXX2
Chemical Name:
2-(4-CYCLOHEXYLBUTYRYL)OXAZOLE
CAS Number:
898759-08-5
IUPAC Name:
4-cyclohexyl-1-(1,3-oxazol-2-yl)butan-1-one
InChI:
InChI=1S/C13H19NO2/c15-12(13-14-9-10-16-13)8-4-7-11-5-2-1-3-6-11/h9-11H,1-8H2
InChI Key:
FXJRICOQWCVCAQ-UHFFFAOYSA-N
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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