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1539973-82-4 | 1-[2-(propan-2-yl)-1,3-oxazol-4-yl]ethan-1-one
CAS No: 1539973-82-4 Catalog No: AG01BH3Y MDL No:MFCD28246248
Product Description
Catalog Number:
AG01BH3Y
Chemical Name:
1-[2-(propan-2-yl)-1,3-oxazol-4-yl]ethan-1-one
CAS Number:
1539973-82-4
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD28246248
IUPAC Name:
1-(2-propan-2-yl-1,3-oxazol-4-yl)ethanone
InChI:
InChI=1S/C8H11NO2/c1-5(2)8-9-7(4-11-8)6(3)10/h4-5H,1-3H3
InChI Key:
SPOYKZNCQDQAPP-UHFFFAOYSA-N
SMILES:
CC(c1occ(n1)C(=O)C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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