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58752-01-5 | Ethanone, 1-(3-methyl-4-isoxazolyl)- (9CI)
CAS No: 58752-01-5 Catalog No: AG00ET56 MDL No:MFCD18449664
Product Description
Catalog Number:
AG00ET56
Chemical Name:
Ethanone, 1-(3-methyl-4-isoxazolyl)- (9CI)
CAS Number:
58752-01-5
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD18449664
IUPAC Name:
1-(3-methyl-1,2-oxazol-4-yl)ethanone
InChI:
InChI=1S/C6H7NO2/c1-4-6(5(2)8)3-9-7-4/h3H,1-2H3
InChI Key:
YYKKQMMAXAOXCI-UHFFFAOYSA-N
SMILES:
CC(=O)c1conc1C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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