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(Q82993165)
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English
3-(4-Chlorophenyl)glutamic acid
group of stereoisomers with the chemical formula C₁₁H₁₂ClNO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
257.04548554400003
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₂ClNO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC(C(=O)O)C(CC(=O)O)c1ccc(Cl)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N[C@H](C(=O)O)C(CC(=O)O)c1ccc(Cl)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H12ClNO4/c12-7-3-1-6(2-4-7)8(5-9(14)15)10(13)11(16)17/h1-4,8,10H,5,13H2,(H,14,15)(H,16,17)/t8?,10-/m0/s1
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InChIKey
ZHXBCPSYEAQEHB-HTLJXXAVSA-N
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CAS Registry Number
78590-22-4
0 references
PubChem CID
132872
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
25660087
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40999863
0 references
DSSTOX compound identifier
DTXCID101426832
0 references
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