Home Other Building Blocks 3,3-dimethyl-5-oxo-5-phenylpentanoic acid

3,3-dimethyl-5-oxo-5-phenylpentanoic acid

CAS No.:
20633-28-7
Catalog Number:
AG01BH10
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
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Product Description
Catalog Number:
AG01BH10
Chemical Name:
3,3-dimethyl-5-oxo-5-phenylpentanoic acid
CAS Number:
20633-28-7
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD17253588
IUPAC Name:
3,3-dimethyl-5-oxo-5-phenylpentanoic acid
InChI:
InChI=1S/C13H16O3/c1-13(2,9-12(15)16)8-11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16)
InChI Key:
DHWPIXISWZOLGV-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(CC(=O)O)(C)C
Properties
Complexity:
262  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties