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(Q82557661)
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English
4-(2,3-Dimethylphenyl)-2,2-dimethyl-4-oxobutanoic acid
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
234.2915
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₈O₃
0 references
canonical SMILES
CC1=C(C(=CC=C1)C(=O)CC(C)(C)C(=O)O)C
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Identifiers
InChI
InChI=1S/C14H18O3/c1-9-6-5-7-11(10(9)2)12(15)8-14(3,4)13(16)17/h5-7H,8H2,1-4H3,(H,16,17)
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InChIKey
DACBPOJILMGDBG-UHFFFAOYSA-N
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CAS Registry Number
146645-55-8
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PubChem CID
24727243
1 reference
matched by identifier from
InChIKey
InChIKey
DACBPOJILMGDBG-UHFFFAOYSA-N
UniChem compound ID
22839093
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40645499
1 reference
matched by identifier from
InChIKey
InChIKey
DACBPOJILMGDBG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40596250
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