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Home Other Building Blocks Benzeneacetic acid, 2,3,4-triMethoxy-6-(1-oxooctyl)-, ethyl ester

Benzeneacetic acid, 2,3,4-triMethoxy-6-(1-oxooctyl)-, ethyl ester

CAS No.:
1258275-73-8
Catalog Number:
AG009YOJ
Molecular Formula:
C21H32O6
Molecular Weight:
380.4752
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
98%
1 week
United States
$240
- +
5mg
98%
1 week
United States
$423
- +
10mg
98%
1 week
United States
$640
- +
50mg
98%
1 week
United States
$2140
- +
100mg
98%
1 week
United States
$3307
- +
Product Description
Catalog Number:
AG009YOJ
Chemical Name:
Benzeneacetic acid, 2,3,4-triMethoxy-6-(1-oxooctyl)-, ethyl ester
CAS Number:
1258275-73-8
Molecular Formula:
C21H32O6
Molecular Weight:
380.4752
MDL Number:
MFCD28160842
IUPAC Name:
ethyl 2-(2,3,4-trimethoxy-6-octanoylphenyl)acetate
InChI:
InChI=1S/C21H32O6/c1-6-8-9-10-11-12-17(22)15-13-18(24-3)21(26-5)20(25-4)16(15)14-19(23)27-7-2/h13H,6-12,14H2,1-5H3
InChI Key:
WCYMJQXRLIDSAQ-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)c1cc(OC)c(c(c1CC(=O)OCC)OC)OC
Properties
Complexity:
438  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.22g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.481g/mol
Monoisotopic Mass:
380.22g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK. Nature chemical biology 20121101
Properties