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4-hydroxy-3-nitrophenylacetaldehyde

PropertiesImage
MNX_IDMNXM97102 Image of MNXM97102
referencechebi:71287
formulaC8H6NO4
global charge-1
mol weight180.139
InChIKeyOXYOFULKSNCNRY-UHFFFAOYSA-M
InChIInChI=1S/C8H7NO4/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,4-5,11H,3H2/p-1
SMILESO=CCC1=CC=C([O-])C([N+](=O)[O-])=C1
MNX internals
InChI (mnx)InChI=1/C8H7NO4/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,4-5,11H,3H2 Image of MNXM97102
SMILES (mnx)[CH:1]1=[CH:2][C:8]([OH:11])=[C:7]([N+:9]([O-:12])=[O:13])[CH:5]=[C:6]1[CH2:3][CH:4]=[O:10]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71287
chebi:71287
OXYOFULKSNCNRY-UHFFFAOYSA-M 		4-hydroxy-3-nitrophenylacetaldehyde
2-(4-hydroxy-3-nitrophenyl)acetaldehyde
2-nitro-4-(2-oxoethyl)phenolate
4-hydroxy-3-nitrophenylacetaldehyde(1-)

bigg.metabolite:4h3npacald
biggM:4h3npacald 		4 Hydroxy 3 Nitro Phenylacetaldehyde

envipath:...1fe80dc2ef98
envipathM:...1fe80dc2ef98
OXYOFULKSNCNRY-UHFFFAOYSA-N 		4-Hydroxy-3-nitrophenylacetaldehyde
hmdb:HMDB0246445
OXYOFULKSNCNRY-UHFFFAOYSA-N 		4-Hydroxy-3-nitrophenylacetaldehyde
2-(4-Hydroxy-3-nitrophenyl)acetaldehyde
2-(4-hydroxy-3-nitrophenyl)acetaldehyde

metacyc.compound:CPD0-2624
metacycM:CPD0-2624
seed.compound:cpd35423
seedM:cpd35423
OXYOFULKSNCNRY-UHFFFAOYSA-M
OXYOFULKSNCNRY-UHFFFAOYSA-N 		4-hydroxy-3-nitrophenylacetaldehyde

CHEBI:71235
chebi:71235
OXYOFULKSNCNRY-UHFFFAOYSA-N 		4-hydroxy-3-nitrophenylacetaldehyde
(4-hydroxy-3-nitrophenyl)acetaldehyde
2-(4-hydroxy-3-nitrophenyl)acetaldehyde

biggM:M_4h3npacald
seedM:M_cpd35423 		secondary/obsolete/fantasy identifier