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Home Carboxys Trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate

Trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate

CAS No.:
330680-46-1
Catalog Number:
AG003V36
Molecular Formula:
C21H17N3O6
Molecular Weight:
407.3762
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$94
- +
250mg
95%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG003V36
Chemical Name:
Trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate
CAS Number:
330680-46-1
Molecular Formula:
C21H17N3O6
Molecular Weight:
407.3762
MDL Number:
MFCD11042545
IUPAC Name:
methyl 2,6-bis(4-methoxycarbonylpyridin-2-yl)pyridine-4-carboxylate
InChI:
InChI=1S/C21H17N3O6/c1-28-19(25)12-4-6-22-15(8-12)17-10-14(21(27)30-3)11-18(24-17)16-9-13(5-7-23-16)20(26)29-2/h4-11H,1-3H3
InChI Key:
YDXTYOYBYASPDS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(nc(c1)c1nccc(c1)C(=O)OC)c1nccc(c1)C(=O)OC
Properties
Complexity:
586  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.112g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.382g/mol
Monoisotopic Mass:
407.112g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties