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(Q82478484)
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2-(3-Methylbutoxy)benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
208.2541
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₆O₃
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canonical SMILES
CC(C)CCOC1=CC=CC=C1C(=O)O
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Identifiers
InChI
InChI=1S/C12H16O3/c1-9(2)7-8-15-11-6-4-3-5-10(11)12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)
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InChIKey
NOKOOVDPFRWHJN-UHFFFAOYSA-N
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CAS Registry Number
21023-51-8
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PubChem CID
16641237
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SureChEMBL ID
SCHEMBL568543
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
23305170
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80586372
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DSSTOX compound identifier
DTXCID30537137
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