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English
(1R,2S)-2-(4-Chlorobenzoyl)cyclopentane-1-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
252.055321956
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(1R,2R)-2-(4-Chlorobenzoyl)cyclopentane-1-carboxylic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₃ClO₃
0 references
canonical SMILES
O=C(O)C1CCCC1C(=O)c1ccc(Cl)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1C[C@@H]([C@@H](C1)C(=O)O)C(=O)C2=CC=C(C=C2)Cl
0 references
Identifiers
InChI
InChI=1S/C13H13ClO3/c14-9-6-4-8(5-7-9)12(15)10-2-1-3-11(10)13(16)17/h4-7,10-11H,1-3H2,(H,16,17)/t10-,11+/m0/s1
0 references
InChIKey
DETWJBPWDQEYPK-WDEREUQCSA-N
0 references
CAS Registry Number
733740-14-2
0 references
PubChem CID
24722323
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
DETWJBPWDQEYPK-WDEREUQCSA-N
UniChem compound ID
23471127
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20641313
1 reference
matched by identifier from
InChIKey
InChIKey
DETWJBPWDQEYPK-WDEREUQCSA-N
DSSTOX compound identifier
DTXCID30592064
0 references
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