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(Q82865295)
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English
2-Butenoic acid, 2-methyl-, 3-phenyl-2-propenyl ester, (2E)-
chemical compound
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No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
216.115029752
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₆O₂
0 references
canonical SMILES
O=C(OCC=CC=1C=CC=CC1)C(=CC)C
0 references
isomeric SMILES
C/C=C(\C)C(=O)OCC=Cc1ccccc1
1 reference
based on heuristic
inferred from InChI
found in taxon
Launea
1 reference
stated in
Volatile Constituents of the Essential Oil ofKaunea longipetolia(Sch. Bip. ex Rusby) K. & K.
Identifiers
InChI
InChI=1S/C14H16O2/c1-3-12(2)14(15)16-11-7-10-13-8-5-4-6-9-13/h3-10H,11H2,1-2H3/b10-7?,12-3+
0 references
InChIKey
KRNURAJANZKGQN-WBJQVTMISA-N
0 references
CAS Registry Number
61792-12-9
1 reference
InChIKey
KRNURAJANZKGQN-WBJQVTMISA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=61792-12-9
PubChem CID
66824966
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KRNURAJANZKGQN-WBJQVTMISA-N
UniChem compound ID
57373855
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40886461
1 reference
matched by identifier from
InChIKey
InChIKey
KRNURAJANZKGQN-WBJQVTMISA-N
DSSTOX compound identifier
DTXCID501025785
0 references
FL number
09.339
1 reference
quotation
CAS no.: 61792-12-9
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
09.339
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