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Home Carboxys Dimethyl pyridine-3,5-dicarboxylate

Dimethyl pyridine-3,5-dicarboxylate

CAS No.:
4591-55-3
Catalog Number:
AG0038PD
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$113
- +
10g
98%
In Stock USA
United States
$200
- +
25g
98%
In Stock USA
United States
$400
- +
100g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG0038PD
Chemical Name:
Dimethyl pyridine-3,5-dicarboxylate
CAS Number:
4591-55-3
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00518827
IUPAC Name:
dimethyl pyridine-3,5-dicarboxylate
InChI:
InChI=1S/C9H9NO4/c1-13-8(11)6-3-7(5-10-4-6)9(12)14-2/h3-5H,1-2H3
InChI Key:
HDTNLHHNQYBOHJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)C(=O)OC
EC Number:
224-981-1
NSC Number:
403260
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties