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898759-14-3 | 2-(2,2,2-TRIMETHYLACETYL)OXAZOLE
CAS No: 898759-14-3 Catalog No: AG00GWDA MDL No:
Product Description
Catalog Number:
AG00GWDA
Chemical Name:
2-(2,2,2-TRIMETHYLACETYL)OXAZOLE
CAS Number:
898759-14-3
IUPAC Name:
2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-one
InChI:
InChI=1S/C8H11NO2/c1-8(2,3)6(10)7-9-4-5-11-7/h4-5H,1-3H3
InChI Key:
FAOCFSRVXIICNE-UHFFFAOYSA-N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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