Home Carboxys Diethyl 1h-pyrazole-3,4-dicarboxylate

Diethyl 1h-pyrazole-3,4-dicarboxylate

CAS No.:
37687-26-6
Catalog Number:
AG0078DH
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
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Product Description
Catalog Number:
AG0078DH
Chemical Name:
Diethyl 1h-pyrazole-3,4-dicarboxylate
CAS Number:
37687-26-6
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
MDL Number:
MFCD19981982
IUPAC Name:
diethyl 1H-pyrazole-4,5-dicarboxylate
InChI:
InChI=1S/C9H12N2O4/c1-3-14-8(12)6-5-10-11-7(6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11)
InChI Key:
VZKOLHTYHOVCKT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]cc1C(=O)OCC
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties