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English
5-Hydroxyvanillin
chemical compound
3,4-Dihydroxy-5-methoxybenzaldehyde
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
168.042258736
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₈O₄
0 references
canonical SMILES
COC1=CC(=CC(=C1O)O)C=O
0 references
found in taxon
Pluchea indica
1 reference
stated in
Bioactive Constituents from the Aerial Parts of Pluchea indica Less
Identifiers
InChI
InChI=1S/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H3
0 references
InChIKey
RRKMWVISRMWBAL-UHFFFAOYSA-N
0 references
CAS Registry Number
3934-87-0
1 reference
InChIKey
RRKMWVISRMWBAL-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=3934-87-0
PubChem CID
77535
1 reference
matched by identifier from
InChIKey
InChIKey
RRKMWVISRMWBAL-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL1001955
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RRKMWVISRMWBAL-UHFFFAOYSA-N
UniChem compound ID
17856557
1 reference
stated in
UniChem
NMRShiftDB structure ID
20039590
1 reference
matched by identifier from
InChIKey
InChIKey
RRKMWVISRMWBAL-UHFFFAOYSA-N
DSSTox substance ID
DTXSID30192563
1 reference
matched by identifier from
InChIKey
InChIKey
RRKMWVISRMWBAL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70115054
0 references
NSC number
16679
0 references
EC number
223-513-3
0 references
ECHA Substance Infocard ID
100.021.377
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.021.377
retrieved
29 December 2019
title
3,4-dihydroxy-5-methoxybenzaldehyde
(English)
quotation
CAS no.: 3934-87-0
(English)
UNII
NHS89FSM17
1 reference
matched by identifier from
InChIKey
InChIKey
RRKMWVISRMWBAL-UHFFFAOYSA-N
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