Home Other Building Blocks ethyl 2-benzoylbutanoate

ethyl 2-benzoylbutanoate

CAS No.:
24346-56-3
Catalog Number:
AG01A38T
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
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Product Description
Catalog Number:
AG01A38T
Chemical Name:
ethyl 2-benzoylbutanoate
CAS Number:
24346-56-3
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD16077033
IUPAC Name:
ethyl 2-benzoylbutanoate
InChI:
InChI=1S/C13H16O3/c1-3-11(13(15)16-4-2)12(14)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChI Key:
NZRZNJONGRRTNF-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccccc1)C(=O)OCC
NSC Number:
265359
Properties
Complexity:
242  
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:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties