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89640-80-2 | Methyl 3-oxo-2,3-dihydropyridazine-4-carboxylate
CAS No: 89640-80-2 Catalog No: AG003W85 MDL No:MFCD14584673
Product Description
Catalog Number:
AG003W85
Chemical Name:
Methyl 3-oxo-2,3-dihydropyridazine-4-carboxylate
CAS Number:
89640-80-2
Molecular Formula:
C6H6N2O3
Molecular Weight:
154.1234
MDL Number:
MFCD14584673
IUPAC Name:
methyl 6-oxo-1H-pyridazine-5-carboxylate
InChI:
InChI=1S/C6H6N2O3/c1-11-6(10)4-2-3-7-8-5(4)9/h2-3H,1H3,(H,8,9)
InChI Key:
RKQKUIQFNORDEO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccn[nH]c1=O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.125g/mol
Monoisotopic Mass:
154.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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