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(Q82000708)
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English
2-Butenoic acid, 3-methyl-, 3-methyl-2-butenyl 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
biogenic acyclic ester
0 references
mass
168.115029752
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₆O₂
0 references
canonical SMILES
O=C(OCC=C(C)C)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
Identifiers
InChI
InChI=1S/C10H16O2/c1-8(2)5-6-12-10(11)7-9(3)4/h5,7H,6H2,1-4H3
0 references
InChIKey
CBERZXRMIOEKPW-UHFFFAOYSA-N
0 references
CAS Registry Number
72779-06-7
1 reference
stated in
CAS Common Chemistry
retrieved
7 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=72779-06-7
InChIKey
CBERZXRMIOEKPW-UHFFFAOYSA-N
PubChem CID
166302
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
CBERZXRMIOEKPW-UHFFFAOYSA-N
UniChem compound ID
25677648
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID7072593
1 reference
matched by identifier from
InChIKey
InChIKey
CBERZXRMIOEKPW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID9047338
0 references
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