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(Q82013497)
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English
4-(2-hydroxypropan-2-yl)benzoic acid
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
menthane monoterpenoids
0 references
mass
180.078644244
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₂O₃
0 references
canonical SMILES
CC(C)(C1=CC=C(C=C1)C(=O)O)O
0 references
found in taxon
Eupatorium fortunei
1 reference
stated in
Terpenoids fromEupatorium fortuneiTurcz
Identifiers
InChI
InChI=1S/C10H12O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3-6,13H,1-2H3,(H,11,12)
0 references
InChIKey
SLFZJKUFAVHARP-UHFFFAOYSA-N
0 references
CAS Registry Number
3609-50-5
0 references
PubChem CID
226122
1 reference
matched by identifier from
InChIKey
InChIKey
SLFZJKUFAVHARP-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL107049
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SLFZJKUFAVHARP-UHFFFAOYSA-N
UniChem compound ID
22927858
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40280288
1 reference
matched by identifier from
InChIKey
InChIKey
SLFZJKUFAVHARP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90231442
0 references
NSC number
16263
0 references
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