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1183061-69-9 | 6-(3,5-Dimethyl-1H-pyrazol-1-yl)pyridazine-3-carboxylic acid
CAS No: 1183061-69-9 Catalog No: AG01FLUV MDL No:MFCD12152583
Product Description
Catalog Number:
AG01FLUV
Chemical Name:
6-(3,5-Dimethyl-1H-pyrazol-1-yl)pyridazine-3-carboxylic acid
CAS Number:
1183061-69-9
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
MDL Number:
MFCD12152583
IUPAC Name:
6-(3,5-dimethylpyrazol-1-yl)pyridazine-3-carboxylic acid
InChI:
InChI=1S/C10H10N4O2/c1-6-5-7(2)14(13-6)9-4-3-8(10(15)16)11-12-9/h3-5H,1-2H3,(H,15,16)
InChI Key:
ITMRIAQOBVMMKJ-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)C)c1ccc(nn1)C(=O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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