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156335-37-4 | Pyrrolo[1,2-b]pyridazine-3-carboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
CAS No: 156335-37-4 Catalog No: AG001OO8 MDL No:MFCD13195447
Product Description
Catalog Number:
AG001OO8
Chemical Name:
Pyrrolo[1,2-b]pyridazine-3-carboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
CAS Number:
156335-37-4
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD13195447
IUPAC Name:
ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate
InChI:
InChI=1S/C10H10N2O3/c1-2-15-10(14)7-6-11-12-5-3-4-8(12)9(7)13/h3-6,11H,2H2,1H3
InChI Key:
QYBQPBAYKVUDSU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]n2c(c1=O)ccc2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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