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77219-13-7 | Ethanone,1-(4,5-dihydro-2,5-dimethyl-5-oxazolyl)-
CAS No: 77219-13-7 Catalog No: AG005ONA MDL No:
Product Description
Catalog Number:
AG005ONA
Chemical Name:
Ethanone,1-(4,5-dihydro-2,5-dimethyl-5-oxazolyl)-
CAS Number:
77219-13-7
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
1-(2,5-dimethyl-4H-1,3-oxazol-5-yl)ethanone
InChI:
InChI=1S/C7H11NO2/c1-5(9)7(3)4-8-6(2)10-7/h4H2,1-3H3
InChI Key:
SJKBFVAZTMAGML-UHFFFAOYSA-N
SMILES:
CC1=NCC(O1)(C)C(=O)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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