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ethyl-4-hydroxyphenylacetate
chemical compound
Ethyl 4-hydroxyphenylacetate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
180.078644244
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₂O₃
0 references
canonical SMILES
CCOC(=O)CC1=CC=C(C=C1)O
0 references
melting point
37.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
found in taxon
Cichorium endivia
1 reference
stated in
Sesquiterpenoids and phenolics from roots of Cichorium endivia var. crispum.
Cichorium intybus
1 reference
stated in
Guaianolides from Cichorium intybus and structure revision of Cichorium sesquiterpene lactones
Identifiers
InChI
InChI=1S/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
0 references
InChIKey
HYUPPKVFCGIMDB-UHFFFAOYSA-N
0 references
CAS Registry Number
17138-28-2
1 reference
InChIKey
HYUPPKVFCGIMDB-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=17138-28-2
PubChem CID
28310
0 references
SureChEMBL ID
SCHEMBL1179218
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HYUPPKVFCGIMDB-UHFFFAOYSA-N
UniChem compound ID
2033179
1 reference
stated in
UniChem
NMRShiftDB structure ID
10715
1 reference
matched by identifier from
InChIKey
InChIKey
HYUPPKVFCGIMDB-UHFFFAOYSA-N
DSSTox substance ID
DTXSID0066165
1 reference
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
DSSTOX compound identifier
DTXCID2035487
0 references
EC number
241-197-5
0 references
ECHA Substance Infocard ID
100.037.437
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.037.437
retrieved
29 December 2019
title
Ethyl 4-hydroxyphenylacetate
(English)
quotation
CAS no.: 17138-28-2
(English)
UNII
94NWB742CW
1 reference
matched by identifier from
InChIKey
InChIKey
HYUPPKVFCGIMDB-UHFFFAOYSA-N
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