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Home Carboxys 5,6,7-Trimethoxy-1h-indole-2-carboxylic acid

5,6,7-Trimethoxy-1h-indole-2-carboxylic acid

CAS No.:
128781-07-7
Catalog Number:
AG000YDN
Molecular Formula:
C12H13NO5
Molecular Weight:
251.2353
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$61
- +
1g
97%
In Stock USA
United States
$113
- +
5g
97%
In Stock USA
United States
$338
- +
10g
97%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG000YDN
Chemical Name:
5,6,7-Trimethoxy-1h-indole-2-carboxylic acid
CAS Number:
128781-07-7
Molecular Formula:
C12H13NO5
Molecular Weight:
251.2353
MDL Number:
MFCD02664478
IUPAC Name:
5,6,7-trimethoxy-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C12H13NO5/c1-16-8-5-6-4-7(12(14)15)13-9(6)11(18-3)10(8)17-2/h4-5,13H,1-3H3,(H,14,15)
InChI Key:
JZMUJQGIASARGH-UHFFFAOYSA-N
SMILES:
COc1cc2cc([nH]c2c(c1OC)OC)C(=O)O
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.079g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.238g/mol
Monoisotopic Mass:
251.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and biological evaluation of a novel pentagastrin-toxin conjugate designed for a targeted prodrug mono-therapy of cancer. International journal of molecular sciences 20080501
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties