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(Q83050431)
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English
2,3,6-Trimethylbenzoic 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
164.083729624
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₂O₂
0 references
canonical SMILES
CC1=C(C(=C(C=C1)C)C(=O)O)C
0 references
found in taxon
Molopospermum peloponnesiacum
1 reference
stated in
Terpenoids of the essential oil from Molopospermum peloponnesiacum roots
Identifiers
InChI
InChI=1S/C10H12O2/c1-6-4-5-7(2)9(8(6)3)10(11)12/h4-5H,1-3H3,(H,11,12)
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InChIKey
JRUKSSBDIZXQDX-UHFFFAOYSA-N
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CAS Registry Number
2529-36-4
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PubChem CID
17314
1 reference
matched by identifier from
InChIKey
InChIKey
JRUKSSBDIZXQDX-UHFFFAOYSA-N
UniChem compound ID
26596474
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60179928
1 reference
matched by identifier from
InChIKey
InChIKey
JRUKSSBDIZXQDX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20102419
0 references
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