Home Carboxys 3,6-Pyridazinedicarboxylic acid 3-ethyl ester

3,6-Pyridazinedicarboxylic acid 3-ethyl ester

CAS No.:
604000-34-2
Catalog Number:
AG00ELM5
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
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Product Description
Catalog Number:
AG00ELM5
Chemical Name:
3,6-Pyridazinedicarboxylic acid 3-ethyl ester
CAS Number:
604000-34-2
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
IUPAC Name:
6-ethoxycarbonylpyridazine-3-carboxylic acid
InChI:
InChI=1S/C8H8N2O4/c1-2-14-8(13)6-4-3-5(7(11)12)9-10-6/h3-4H,2H2,1H3,(H,11,12)
InChI Key:
IAKGODNDDOWLEN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nn1)C(=O)O
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties