Home Other Building Blocks 5-(3,4-Dimethoxyphenyl)-5-oxovaleric acid

5-(3,4-Dimethoxyphenyl)-5-oxovaleric acid

CAS No.:
4378-55-6
Catalog Number:
AG00DD3J
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$121
- +
5g
95%
1 week
United States
$350
- +
25g
95%
1 week
United States
$975
- +
Product Description
Catalog Number:
AG00DD3J
Chemical Name:
5-(3,4-Dimethoxyphenyl)-5-oxovaleric acid
CAS Number:
4378-55-6
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
MDL Number:
MFCD00094346
IUPAC Name:
5-(3,4-dimethoxyphenyl)-5-oxopentanoic acid
InChI:
InChI=1S/C13H16O5/c1-17-11-7-6-9(8-12(11)18-2)10(14)4-3-5-13(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)
InChI Key:
VCPFAIMGNLXMPO-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)CCCC(=O)O
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties