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1445-55-2 | 4-Pyridazinecarboxylic acid, 2,3-dihydro-3-oxo-, ethyl ester
CAS No: 1445-55-2 Catalog No: AG001JNE MDL No:MFCD14584672
Product Description
Catalog Number:
AG001JNE
Chemical Name:
4-Pyridazinecarboxylic acid, 2,3-dihydro-3-oxo-, ethyl ester
CAS Number:
1445-55-2
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD14584672
IUPAC Name:
ethyl 6-oxo-1H-pyridazine-5-carboxylate
InChI:
InChI=1S/C7H8N2O3/c1-2-12-7(11)5-3-4-8-9-6(5)10/h3-4H,2H2,1H3,(H,9,10)
InChI Key:
IIAVVOGGKSJORS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccn[nH]c1=O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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