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859046-10-9 | 1-Oxazol-4-yl-ethanone
CAS No: 859046-10-9 Catalog No: AG00H30I MDL No:MFCD18250706
Product Description
Catalog Number:
AG00H30I
Chemical Name:
1-Oxazol-4-yl-ethanone
CAS Number:
859046-10-9
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD18250706
IUPAC Name:
1-(1,3-oxazol-4-yl)ethanone
InChI:
InChI=1S/C5H5NO2/c1-4(7)5-2-8-3-6-5/h2-3H,1H3
InChI Key:
NGZJBIGWTNAOPZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cocn1
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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