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(Q72517862)
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English
1-(4-methoxyphenyl)pent-1-en-3-one
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
190.2388
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₄O₂
0 references
canonical SMILES
CCC(=O)C=CC1=CC=C(C=C1)OC
0 references
Identifiers
InChI
InChI=1S/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3
0 references
InChIKey
SLDQOBRACOQXGE-UHFFFAOYSA-N
0 references
CAS Registry Number
104-27-8
1 reference
InChIKey
SLDQOBRACOQXGE-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=104-27-8
PubChem CID
61008
0 references
UniChem compound ID
25349332
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-LCSB-LU060301
1 reference
InChIKey
SLDQOBRACOQXGE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-LCSB-LU060303
1 reference
InChIKey
SLDQOBRACOQXGE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-LCSB-LU060305
1 reference
InChIKey
SLDQOBRACOQXGE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-LCSB-LU060302
1 reference
InChIKey
SLDQOBRACOQXGE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-LCSB-LU060304
1 reference
InChIKey
SLDQOBRACOQXGE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-LCSB-LU060306
1 reference
InChIKey
SLDQOBRACOQXGE-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID4047412
0 references
DSSTOX compound identifier
DTXCID2027412
0 references
NSC number
133448
0 references
EC number
203-190-5
0 references
ECHA Substance Infocard ID
100.002.900
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.002.900
retrieved
29 December 2019
title
1-(4-methoxyphenyl)pent-1-en-3-one
(English)
quotation
CAS no.: 104-27-8
(English)
AICS Chemical ID (BEING DELETED)
2530
0 references
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