Home Carboxys 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(2-nitrosophenyl)-, methyl2-methylpropyl ester

3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(2-nitrosophenyl)-, methyl2-methylpropyl ester

CAS No.:
87375-91-5
Catalog Number:
AG004NU5
Molecular Formula:
C20H21N2O5-
Molecular Weight:
369.3911
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%
1 week
United States
$196
- +
5mg
98%
1 week
United States
$515
- +
10mg
98%
1 week
United States
$682
- +
25mg
98%
1 week
United States
$1376
- +
Product Description
Catalog Number:
AG004NU5
Chemical Name:
3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(2-nitrosophenyl)-, methyl2-methylpropyl ester
CAS Number:
87375-91-5
Molecular Formula:
C20H21N2O5-
Molecular Weight:
369.3911
MDL Number:
MFCD31729547
IUPAC Name:
2,6-dimethyl-5-(3-methylbutan-2-yloxycarbonyl)-4-(2-nitrosophenyl)pyridine-3-carboxylate
InChI:
InChI=1S/C20H22N2O5/c1-10(2)13(5)27-20(25)17-12(4)21-11(3)16(19(23)24)18(17)14-8-6-7-9-15(14)22-26/h6-10,13H,1-5H3,(H,23,24)/p-1
InChI Key:
KKQILAUVQAVWHF-UHFFFAOYSA-M
SMILES:
O=Nc1ccccc1c1c(C(=O)OC(C(C)C)C)c(C)nc(c1C(=O)[O-])C
Properties
Complexity:
547  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.145g/mol
Formal Charge:
-1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.397g/mol
Monoisotopic Mass:
369.145g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties