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(Q82423767)
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English
3-(1,3-Diphenyl-1H-pyrazol-4-yl)propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
292.12117775199994
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₁₆N₂O₂
0 references
canonical SMILES
C1=CC=C(C=C1)C2=NN(C=C2CCC(=O)O)C3=CC=CC=C3
0 references
Identifiers
InChI
InChI=1S/C18H16N2O2/c21-17(22)12-11-15-13-20(16-9-5-2-6-10-16)19-18(15)14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,21,22)
0 references
InChIKey
LMHUSEBWZSOLAN-UHFFFAOYSA-N
0 references
CAS Registry Number
108446-77-1
1 reference
InChIKey
LMHUSEBWZSOLAN-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=108446-77-1
PubChem CID
13661654
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
LMHUSEBWZSOLAN-UHFFFAOYSA-N
UniChem compound ID
22776396
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90546068
1 reference
matched by identifier from
InChIKey
InChIKey
LMHUSEBWZSOLAN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90496852
0 references
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