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898758-24-2 | 2-BUTYRYLOXAZOLE
CAS No: 898758-24-2 Catalog No: AG006OEE MDL No:
Product Description
Catalog Number:
AG006OEE
Chemical Name:
2-BUTYRYLOXAZOLE
CAS Number:
898758-24-2
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
IUPAC Name:
1-(1,3-oxazol-2-yl)butan-1-one
InChI:
InChI=1S/C7H9NO2/c1-2-3-6(9)7-8-4-5-10-7/h4-5H,2-3H2,1H3
InChI Key:
JECXIELECAJJKU-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ncco1
Properties
Complexity:
125
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:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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