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778594-18-6 | 3-Pyridazinecarboxylic acid, 1,6-dihydro-1-(1-methylethyl)-6-oxo-
CAS No: 778594-18-6 Catalog No: AG01FN5N MDL No:MFCD14609244
Product Description
Catalog Number:
AG01FN5N
Chemical Name:
3-Pyridazinecarboxylic acid, 1,6-dihydro-1-(1-methylethyl)-6-oxo-
CAS Number:
778594-18-6
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD14609244
IUPAC Name:
6-oxo-1-propan-2-ylpyridazine-3-carboxylic acid
InChI:
InChI=1S/C8H10N2O3/c1-5(2)10-7(11)4-3-6(9-10)8(12)13/h3-5H,1-2H3,(H,12,13)
InChI Key:
SZRWSUNUWKCKBR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(=O)n(n1)C(C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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