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(Q82316285)
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English
2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
203.1945
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₉NO₃
0 references
canonical SMILES
CN1C=C(C2=CC=CC=C2C1=O)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C11H9NO3/c1-12-6-9(11(14)15)7-4-2-3-5-8(7)10(12)13/h2-6H,1H3,(H,14,15)
0 references
InChIKey
NQDGBUUSUPLGHH-UHFFFAOYSA-N
0 references
CAS Registry Number
54931-62-3
0 references
PubChem CID
12220340
1 reference
matched by identifier from
InChIKey
InChIKey
NQDGBUUSUPLGHH-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL926245
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NQDGBUUSUPLGHH-UHFFFAOYSA-N
UniChem compound ID
23555602
1 reference
stated in
UniChem
NMRShiftDB structure ID
20182738
1 reference
matched by identifier from
InChIKey
InChIKey
NQDGBUUSUPLGHH-UHFFFAOYSA-N
DSSTox substance ID
DTXSID00481072
1 reference
matched by identifier from
InChIKey
InChIKey
NQDGBUUSUPLGHH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70431882
0 references
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