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23000-12-6 | Ethanone, 1-(2,5-dimethyl-4-oxazolyl)-
CAS No: 23000-12-6 Catalog No: AG002LTG MDL No:MFCD09751268
Product Description
Catalog Number:
AG002LTG
Chemical Name:
Ethanone, 1-(2,5-dimethyl-4-oxazolyl)-
CAS Number:
23000-12-6
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD09751268
IUPAC Name:
1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone
InChI:
InChI=1S/C7H9NO2/c1-4(9)7-5(2)10-6(3)8-7/h1-3H3
InChI Key:
XWLBBTGITHATTI-UHFFFAOYSA-N
SMILES:
Cc1oc(c(n1)C(=O)C)C
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:
1.2
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