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(Q82061705)
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English
3,3-dimethyl-4-(4-nitrophenyl)butanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
237.10010796
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₅NO₄
0 references
canonical SMILES
CC(C)(CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)O
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Identifiers
InChI
InChI=1S/C12H15NO4/c1-12(2,8-11(14)15)7-9-3-5-10(6-4-9)13(16)17/h3-6H,7-8H2,1-2H3,(H,14,15)
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InChIKey
DJHDFMZFVVNZCU-UHFFFAOYSA-N
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CAS Registry Number
33209-64-2
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PubChem CID
316715
1 reference
matched by identifier from
InChIKey
InChIKey
DJHDFMZFVVNZCU-UHFFFAOYSA-N
UniChem compound ID
65702376
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10311730
1 reference
matched by identifier from
InChIKey
InChIKey
DJHDFMZFVVNZCU-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10262854
0 references
NSC number
245068
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