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71005-76-0 | 3-ACETYL-4-ETHYL-2(3H)-OXAZOLONE
CAS No: 71005-76-0 Catalog No: AG005F56 MDL No:
Product Description
Catalog Number:
AG005F56
Chemical Name:
3-ACETYL-4-ETHYL-2(3H)-OXAZOLONE
CAS Number:
71005-76-0
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
IUPAC Name:
3-acetyl-4-ethyl-1,3-oxazol-2-one
InChI:
InChI=1S/C7H9NO3/c1-3-6-4-11-7(10)8(6)5(2)9/h4H,3H2,1-2H3
InChI Key:
YNRXGGSCSGSTAI-UHFFFAOYSA-N
SMILES:
CCc1coc(=O)n1C(=O)C
Properties
Complexity:
232
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:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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