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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:136446 - 1-
aci
-nitro-2-(4-hydroxyphenyl)ethane
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ChEBI Name
1-
aci
-nitro-2-(4-hydroxyphenyl)ethane
ChEBI ID
CHEBI:136446
ChEBI ASCII Name
1-aci-nitro-2-(4-hydroxyphenyl)ethane
Definition
An
aci
-nitro compound resulting from the formal tautomerisation of the nitro group of
p
-(2-nitroethyl)phenol.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Molfile
Formula
C8H9NO3
Net Charge
0
Average Mass
167.162
Monoisotopic Mass
167.05824
InChI
InChI=1S/C8H9NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-4,6,10H,5H2,(H,11,12)
InChIKey
YIKJHONXDKKKLG-UHFFFAOYSA-N
SMILES
C1(CC=[N+](O)[O-])=CC=C(C=C1)O
ChEBI Ontology
Outgoing
1-
aci
-nitro-2-(4-hydroxyphenyl)ethane (
CHEBI:136446
)
is a
aci
-nitro compound (
CHEBI:136622
)
1-
aci
-nitro-2-(4-hydroxyphenyl)ethane (
CHEBI:136446
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
[2-(4-hydroxyphenyl)ethylidene]azinic acid
Synonyms
Sources
(4-hydroxyphenyl)acetaldehyde oxime
N
-oxide
ChEBI
1-
aci
-nitro-2-(4-hydroxyphenyl)ethane
UniProt
2-(4-hydroxyphenyl)-
N
-oxidanyl-ethanimine oxide
ChEBI
hydroxy(oxido)(2-phenylethylidene)azanium
MetaCyc
Last Modified
19 April 2017