Home Carboxys 3-Pyridazinecarboxylicacid,1-ethyl-1,6-dihydro-6-oxo-(9CI)

3-Pyridazinecarboxylicacid,1-ethyl-1,6-dihydro-6-oxo-(9CI)

CAS No.:
171672-98-3
Catalog Number:
AG00BA23
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
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Product Description
Catalog Number:
AG00BA23
Chemical Name:
3-Pyridazinecarboxylicacid,1-ethyl-1,6-dihydro-6-oxo-(9CI)
CAS Number:
171672-98-3
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD05264678
IUPAC Name:
1-ethyl-6-oxopyridazine-3-carboxylic acid
InChI:
InChI=1S/C7H8N2O3/c1-2-9-6(10)4-3-5(8-9)7(11)12/h3-4H,2H2,1H3,(H,11,12)
InChI Key:
YPGQZFBTZKRELK-UHFFFAOYSA-N
SMILES:
CCn1nc(ccc1=O)C(=O)O
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties