sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 1H-Pyrazole-3,5-dicarboxylic acid, 4-hydroxy-, dimethyl ester

1H-Pyrazole-3,5-dicarboxylic acid, 4-hydroxy-, dimethyl ester

CAS No.:
23705-85-3
Catalog Number:
AG002O78
Molecular Formula:
C7H8N2O5
Molecular Weight:
200.1488
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
≥95%
In Stock USA
United States
$283
- +
10g
≥95%
In Stock USA
United States
$471
- +
Product Description
Catalog Number:
AG002O78
Chemical Name:
1H-Pyrazole-3,5-dicarboxylic acid, 4-hydroxy-, dimethyl ester
CAS Number:
23705-85-3
Molecular Formula:
C7H8N2O5
Molecular Weight:
200.1488
MDL Number:
MFCD05666011
IUPAC Name:
dimethyl 4-hydroxy-1H-pyrazole-3,5-dicarboxylate
InChI:
InChI=1S/C7H8N2O5/c1-13-6(11)3-5(10)4(9-8-3)7(12)14-2/h10H,1-2H3,(H,8,9)
InChI Key:
FBZGCRCSPADZHL-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]nc(c1O)C(=O)OC
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
200.15g/mol
Monoisotopic Mass:
200.043g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C). Bioorganic & medicinal chemistry letters 20120915
Properties