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(Q82161081)
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Dimethyl 2-methylisophthalate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
208.211
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₂O₄
0 references
canonical SMILES
CC1=C(C=CC=C1C(=O)OC)C(=O)OC
0 references
Identifiers
InChI
InChI=1S/C11H12O4/c1-7-8(10(12)14-2)5-4-6-9(7)11(13)15-3/h4-6H,1-3H3
0 references
InChIKey
UPGQXOHLGDXBJJ-UHFFFAOYSA-N
0 references
CAS Registry Number
28269-31-0
0 references
PubChem CID
2753491
1 reference
matched by identifier from
InChIKey
InChIKey
UPGQXOHLGDXBJJ-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL3511612
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UPGQXOHLGDXBJJ-UHFFFAOYSA-N
UniChem compound ID
6766079
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40373003
1 reference
matched by identifier from
InChIKey
InChIKey
UPGQXOHLGDXBJJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40324035
0 references
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