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(Q82952574)
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English
6-Chloro-5-(4-hydroxycyclohexyl)-2,3-dihydro-1H-indene-1-carboxylic acid
group of stereoisomers with the chemical formula C₁₆H₁₉ClO₃
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
294.10227214800005
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₉ClO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(O)C1CCc2cc(C3CCC(O)CC3)c(Cl)cc21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C(O)[C@H]1CCc2cc(C3CCC(O)CC3)c(Cl)cc21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H19ClO3/c17-15-8-13-10(3-6-12(13)16(19)20)7-14(15)9-1-4-11(18)5-2-9/h7-9,11-12,18H,1-6H2,(H,19,20)/t9?,11?,12-/m0/s1
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InChIKey
MKMCAMXTCDLWSJ-NHNAUAITSA-N
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CAS Registry Number
54423-58-4
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PubChem CID
6453005
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
66772688
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80969560
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DSSTOX compound identifier
DTXCID301397110
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