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(Q72483137)
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English
3-(1H-Indol-5-yl)benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
237.078978592
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₁NO₂
0 references
canonical SMILES
C1=CC(=CC(=C1)C(=O)O)C2=CC3=C(C=C2)NC=C3
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Identifiers
InChI
InChI=1S/C15H11NO2/c17-15(18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-9,16H,(H,17,18)
0 references
InChIKey
VKHHKQSCGXEKEE-UHFFFAOYSA-N
0 references
CAS Registry Number
886363-16-2
1 reference
InChIKey
VKHHKQSCGXEKEE-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=886363-16-2
PubChem CID
4135877
1 reference
matched by identifier from
InChIKey
InChIKey
VKHHKQSCGXEKEE-UHFFFAOYSA-N
UniChem compound ID
24344892
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20399741
1 reference
matched by identifier from
InChIKey
InChIKey
VKHHKQSCGXEKEE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60350598
0 references
PDB ligand ID
Q2S
0 references
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