Home Carboxys diMethyl1H-pyrazole-3,4-dicarboxylate

diMethyl1H-pyrazole-3,4-dicarboxylate

CAS No.:
33090-46-9
Catalog Number:
AG00CKXB
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
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Product Description
Catalog Number:
AG00CKXB
Chemical Name:
diMethyl1H-pyrazole-3,4-dicarboxylate
CAS Number:
33090-46-9
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD01552265
IUPAC Name:
dimethyl 1H-pyrazole-4,5-dicarboxylate
InChI:
InChI=1S/C7H8N2O4/c1-12-6(10)4-3-8-9-5(4)7(11)13-2/h3H,1-2H3,(H,8,9)
InChI Key:
MBPCNHQXWVYNJQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]ncc1C(=O)OC
NSC Number:
108598
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties