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34231-77-1 | Methyl pyridazine-4-carboxylate
CAS No: 34231-77-1 Catalog No: AG003S2H MDL No:MFCD09953488
Product Description
Catalog Number:
AG003S2H
Chemical Name:
Methyl pyridazine-4-carboxylate
CAS Number:
34231-77-1
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD09953488
IUPAC Name:
methyl pyridazine-4-carboxylate
InChI:
InChI=1S/C6H6N2O2/c1-10-6(9)5-2-3-7-8-4-5/h2-4H,1H3
InChI Key:
IJFLWNYKGMQQOW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnnc1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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