Home Other Building Blocks tert-butyl 3-oxo-3-phenylpropanoate

tert-butyl 3-oxo-3-phenylpropanoate

CAS No.:
54441-66-6
Catalog Number:
AG01ACV3
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
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Product Description
Catalog Number:
AG01ACV3
Chemical Name:
tert-butyl 3-oxo-3-phenylpropanoate
CAS Number:
54441-66-6
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD00760727
IUPAC Name:
tert-butyl 3-oxo-3-phenylpropanoate
InChI:
InChI=1S/C13H16O3/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChI Key:
PRTKMICNYGEWGB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(=O)OC(C)(C)C
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties