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898759-12-1 | 2-(2,2-DIMETHYLACETYL)OXAZOLE
CAS No: 898759-12-1 Catalog No: AG006OE1 MDL No:
Product Description
Catalog Number:
AG006OE1
Chemical Name:
2-(2,2-DIMETHYLACETYL)OXAZOLE
CAS Number:
898759-12-1
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
IUPAC Name:
2-methyl-1-(1,3-oxazol-2-yl)propan-1-one
InChI:
InChI=1S/C7H9NO2/c1-5(2)6(9)7-8-3-4-10-7/h3-5H,1-2H3
InChI Key:
PUYVQDCWEITXJJ-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1ncco1)C
Properties
Complexity:
134
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:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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