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77219-14-8 | Ethanone,1-[4,5-dihydro-5-methyl-2-(1-methylethyl)-5-oxazolyl]-
CAS No: 77219-14-8 Catalog No: AG008NK4 MDL No:
Product Description
Catalog Number:
AG008NK4
Chemical Name:
Ethanone,1-[4,5-dihydro-5-methyl-2-(1-methylethyl)-5-oxazolyl]-
CAS Number:
77219-14-8
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
1-(5-methyl-2-propan-2-yl-4H-1,3-oxazol-5-yl)ethanone
InChI:
InChI=1S/C9H15NO2/c1-6(2)8-10-5-9(4,12-8)7(3)11/h6H,5H2,1-4H3
InChI Key:
UIWJUKUDAIBDOX-UHFFFAOYSA-N
SMILES:
CC(C1=NCC(O1)(C)C(=O)C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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