Home Other Building Blocks 5-(3,5-Dimethylphenyl)-5-oxopentanoic acid

5-(3,5-Dimethylphenyl)-5-oxopentanoic acid

CAS No.:
845790-45-6
Catalog Number:
AG004UEQ
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$409
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Product Description
Catalog Number:
AG004UEQ
Chemical Name:
5-(3,5-Dimethylphenyl)-5-oxopentanoic acid
CAS Number:
845790-45-6
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD01320053
IUPAC Name:
5-(3,5-dimethylphenyl)-5-oxopentanoic acid
InChI:
InChI=1S/C13H16O3/c1-9-6-10(2)8-11(7-9)12(14)4-3-5-13(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)
InChI Key:
SXRAQQMGZKWORM-UHFFFAOYSA-N
SMILES:
O=C(c1cc(C)cc(c1)C)CCCC(=O)O
Properties
Complexity:
250  
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:
2.1  
Properties