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(Q82577857)
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English
3-Iodo-4-[(piperidin-1-yl)methyl]benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
345.02257675199996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₆INO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(O)c1ccc(CN2CCCCC2)c(I)c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H16INO2/c14-12-8-10(13(16)17)4-5-11(12)9-15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,16,17)
0 references
InChIKey
ZYPGVRYZSLQUJP-UHFFFAOYSA-N
0 references
CAS Registry Number
1131614-61-3
1 reference
InChIKey
ZYPGVRYZSLQUJP-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1131614-61-3
PubChem CID
44828841
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZYPGVRYZSLQUJP-UHFFFAOYSA-N
UniChem compound ID
9506352
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90660930
1 reference
matched by identifier from
InChIKey
InChIKey
ZYPGVRYZSLQUJP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40611679
0 references
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