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(Q81994733)
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English
2-Butenoic acid, 3-methyl-, phenylmethyl ester
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
chemical compound
0 references
mass
190.099379688
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₄O₂
0 references
canonical SMILES
O=C(OCC=1C=CC=CC1)C=C(C)C
0 references
found in taxon
Callitropsis nootkatensis
1 reference
stated in
The volatile oil of the leaves of chamaecyparis nootkatensis
Xanthocyparis nootkatensis
1 reference
stated in
The volatile oil of the leaves of chamaecyparis nootkatensis
Vernonia galamensis
1 reference
stated in
Prevernocistifolides from Vernonia galamensis
Identifiers
InChI
InChI=1S/C12H14O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
0 references
InChIKey
WRUBNJSGJHOHJF-UHFFFAOYSA-N
0 references
CAS Registry Number
37526-89-9
1 reference
InChIKey
WRUBNJSGJHOHJF-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=37526-89-9
PubChem CID
162264
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WRUBNJSGJHOHJF-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL2030640
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WRUBNJSGJHOHJF-UHFFFAOYSA-N
UniChem compound ID
18205858
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID9068035
1 reference
matched by identifier from
InChIKey
InChIKey
WRUBNJSGJHOHJF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID0039352
0 references
UNII
3H7Y5V4CY3
1 reference
matched by identifier from
InChIKey
InChIKey
WRUBNJSGJHOHJF-UHFFFAOYSA-N
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