CAS
91137-28-9 Purity
96%
91137-28-9 Purity
96%
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Specification
The molecular formula is C11H9NO3.
It was created on June 17, 2009.
The IUPAC name is methyl 1-oxo-2H-isoquinoline-5-carboxylate.
The InChI is InChI=1S/C11H9NO3/c1-15-11(14)9-4-2-3-8-7(9)5-6-12-10(8)13/h2-6H,1H3,(H,12,13).
The molecular weight is 203.19 g/mol.
It has 1 hydrogen bond donor count.
The XLogP3-AA value is 1.2.
The topological polar surface area is 55.4 Ų.
No, it has 0 defined atom stereocenter counts.
Yes, it is a canonicalized compound.
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