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10004-45-2 | 3(2H)-Isoxazolone, 5-ethyl-
CAS No: 10004-45-2 Catalog No: AG0000N5 MDL No:MFCD15474929
Product Description
Catalog Number:
AG0000N5
Chemical Name:
3(2H)-Isoxazolone, 5-ethyl-
CAS Number:
10004-45-2
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
MDL Number:
MFCD15474929
IUPAC Name:
5-ethyl-1,2-oxazol-3-one
InChI:
InChI=1S/C5H7NO2/c1-2-4-3-5(7)6-8-4/h3H,2H2,1H3,(H,6,7)
InChI Key:
COJBJDILSDCGSL-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)[nH]o1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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