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(Q63392727)
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English
propan-2-yl nonanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
wax monoester
0 references
mass
200.177630008
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₂₄O₂
0 references
canonical SMILES
CCCCCCCCC(=O)OC(C)C
0 references
Identifiers
InChI
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-12(13)14-11(2)3/h11H,4-10H2,1-3H3
0 references
InChIKey
DVFZGWDMFKTMFQ-UHFFFAOYSA-N
0 references
CAS Registry Number
28267-32-5
1 reference
InChIKey
DVFZGWDMFKTMFQ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=28267-32-5
PubChem CID
119911
1 reference
matched by identifier from
InChIKey
InChIKey
DVFZGWDMFKTMFQ-UHFFFAOYSA-N
ChEBI ID
179747
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-12(13)14-11(2)3/h11H,4-10H2,1-3H3
SureChEMBL ID
SCHEMBL29523
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DVFZGWDMFKTMFQ-UHFFFAOYSA-N
UniChem compound ID
23025664
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP007010
0 references
DSSTox substance ID
DTXSID7067370
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
DVFZGWDMFKTMFQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID5037787
0 references
AICS Chemical ID (BEING DELETED)
17173
0 references
Human Metabolome Database ID
HMDB0034128
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DVFZGWDMFKTMFQ-UHFFFAOYSA-N
UNII
RW24H5S6GT
1 reference
matched by identifier from
InChIKey
InChIKey
DVFZGWDMFKTMFQ-UHFFFAOYSA-N
LIPID MAPS ID
LMFA07010923
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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