Home Other Building Blocks methyl 2-benzoyl-3-methylbutanoate

methyl 2-benzoyl-3-methylbutanoate

CAS No.:
29540-55-4
Catalog Number:
AG01AM3A
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
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Product Description
Catalog Number:
AG01AM3A
Chemical Name:
methyl 2-benzoyl-3-methylbutanoate
CAS Number:
29540-55-4
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD16077035
IUPAC Name:
methyl 2-benzoyl-3-methylbutanoate
InChI:
InChI=1S/C13H16O3/c1-9(2)11(13(15)16-3)12(14)10-7-5-4-6-8-10/h4-9,11H,1-3H3
InChI Key:
OFSPVPOCRMGQFE-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)c1ccccc1)C(C)C
Properties
Complexity:
252  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties