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Home Carboxys Diethyl 1-methyl-1h-pyrazole-3,5-dicarboxylate

Diethyl 1-methyl-1h-pyrazole-3,5-dicarboxylate

CAS No.:
100852-80-0
Catalog Number:
AG00030I
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$124
- +
5g
95%
In Stock USA
United States
$400
- +
10g
95%
In Stock USA
United States
$675
- +
25g
95%
In Stock USA
United States
$1300
- +
Product Description
Catalog Number:
AG00030I
Chemical Name:
Diethyl 1-methyl-1h-pyrazole-3,5-dicarboxylate
CAS Number:
100852-80-0
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
MDL Number:
MFCD02253786
IUPAC Name:
diethyl 1-methylpyrazole-3,5-dicarboxylate
InChI:
InChI=1S/C10H14N2O4/c1-4-15-9(13)7-6-8(12(3)11-7)10(14)16-5-2/h6H,4-5H2,1-3H3
InChI Key:
WPKJUUKSWNCKPZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)C(=O)OCC)C
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
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