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68235-28-9 | 2(3H)-Oxazolone, 3-acetyl-4,5-dimethyl-
CAS No: 68235-28-9 Catalog No: AG006D28 MDL No:
Product Description
Catalog Number:
AG006D28
Chemical Name:
2(3H)-Oxazolone, 3-acetyl-4,5-dimethyl-
CAS Number:
68235-28-9
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
IUPAC Name:
3-acetyl-4,5-dimethyl-1,3-oxazol-2-one
InChI:
InChI=1S/C7H9NO3/c1-4-5(2)11-7(10)8(4)6(3)9/h1-3H3
InChI Key:
WHPDDMPFQPVBLI-UHFFFAOYSA-N
SMILES:
Cc1oc(=O)n(c1C)C(=O)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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