CAS
91137-27-8 Purity
96%
91137-27-8 Purity
96%
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Methyl 1-oxo-1,2-dihydroisoquinoline-5-carboxylate
CAS
91137-50-7
Catalog Number
ACM91137507
Category
Other Products
Molecular Weight
203.194060 [g/mol]
Molecular Formula
C11H9NO3
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Specification
Synonyms
methyl 1-oxo-1,2-dihydroisoquinoline-5-carboxylate, 91137-50-7, CTK8D4273, SBB069197, ZINC33358958, AKOS015919084, KB-202635, FT-0657685, A843735, methyl 1-oxidanylidene-2H-isoquinoline-5-carboxylate, S08-0055, 1-oxo-2H-isoquinoline-5-carboxylic acid methyl ester
IUPAC Name
methyl 1-oxo-2H-isoquinoline-5-carboxylate
Canonical SMILES
COC(=O)C1=CC=CC2=C1C=CNC2=O
InChI Key
TYWKOYUCGGZKBB-UHFFFAOYSA-N
Exact Mass
203.05800
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of methyl 1-oxo-1,2-dihydroisoquinoline-5-carboxylate?
The molecular formula is C11H9NO3.
When was methyl 1-oxo-1,2-dihydroisoquinoline-5-carboxylate created in PubChem?
It was created on June 17, 2009.
What is the IUPAC name of methyl 1-oxo-1,2-dihydroisoquinoline-5-carboxylate?
The IUPAC name is methyl 1-oxo-2H-isoquinoline-5-carboxylate.
What is the InChI of methyl 1-oxo-1,2-dihydroisoquinoline-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).
What is the molecular weight of methyl 1-oxo-1,2-dihydroisoquinoline-5-carboxylate?
The molecular weight is 203.19 g/mol.
How many hydrogen bond donor counts does methyl 1-oxo-1,2-dihydroisoquinoline-5-carboxylate have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of methyl 1-oxo-1,2-dihydroisoquinoline-5-carboxylate?
The XLogP3-AA value is 1.2.
What is the topological polar surface area of methyl 1-oxo-1,2-dihydroisoquinoline-5-carboxylate?
The topological polar surface area is 55.4 Ų.
Does methyl 1-oxo-1,2-dihydroisoquinoline-5-carboxylate have any defined atom stereocenter counts?
No, it has 0 defined atom stereocenter counts.
Is methyl 1-oxo-1,2-dihydroisoquinoline-5-carboxylate a canonicalized compound in PubChem?
Yes, it is a canonicalized compound.
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