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35166-20-2 | Ethanone, 1-(3,5-dimethyl-4-isoxazolyl)- (9CI)
CAS No: 35166-20-2 Catalog No: AG00CITE MDL No:MFCD08701356
Product Description
Catalog Number:
AG00CITE
Chemical Name:
Ethanone, 1-(3,5-dimethyl-4-isoxazolyl)- (9CI)
CAS Number:
35166-20-2
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD08701356
IUPAC Name:
1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
InChI:
InChI=1S/C7H9NO2/c1-4-7(5(2)9)6(3)10-8-4/h1-3H3
InChI Key:
LNOJLNSJFRTBHL-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)noc1C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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