Home Carboxys 6-cyclopropyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid

6-cyclopropyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid

CAS No.:
1890462-30-2
Catalog Number:
AG01DW2V
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
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Product Description
Catalog Number:
AG01DW2V
Chemical Name:
6-cyclopropyl-3-oxo-2,3-dihydropyridazine-4-carboxylic acid
CAS Number:
1890462-30-2
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD22398878
IUPAC Name:
3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylic acid
InChI:
InChI=1S/C8H8N2O3/c11-7-5(8(12)13)3-6(9-10-7)4-1-2-4/h3-4H,1-2H2,(H,10,11)(H,12,13)
InChI Key:
ZRKMXRVAAKJWGX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(n[nH]c1=O)C1CC1
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties