4,5-Dihydroxy-2-nitrobenzaldehyde

HCID 3782344

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=Cc1cc(O)c(O)cc1[N+](=O)[O-]
InChIKey: SDAAKNQPCGUCNH-UHFFFAOYSA-N
Molecular formula: C7H5NO5
Average molar mass: 183.12 g/mol

Names & identifiers

Preferred name: 4,5-Dihydroxy-2-nitrobenzaldehyde
IUPAC: 4,5-dihydroxy-2-nitrobenzaldehyde

Names & synonyms

4,5-dihydroxy-2-nitrobenzaldehyde73635-75-33,4-Dihydroxy-6-nitrobenzaldehyde6-NITROPROTOCATECHUALDEHYDE2-Nitro-4,5-dihydroxybenzaldehydeMFCD000166454,5-dihydroxy-2-nitro-benzaldehydeCHEMBL142876Benzaldehyde, 4,5-dihydroxy-2-nitro-SCHEMBL56106556-NITROPROTOCATECUALDEHYDE45-Dihydroxy-2-nitrobenzaldehyde

Show more names

SDAAKNQPCGUCNH-UHFFFAOYSA-N4, 5-dihydroxy-2-nitrobenzaldehydeBDBM50004048SBB061894AKOS006228638FD67691SB85333AS-94120

Database identifiers

PubChem CID: 3782344
ChEMBL: CHEMBL142876
Nikkaji: J522.467E

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 103 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 213

Related reactions

6 records

New reaction record

HRID 87073As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 439562As reactantuspto-grants-1996_05

HRID 1228119As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1982218As productuspto-grants-1986_06

HRID 1982219As productuspto-grants-1986_06

HRID 2333707As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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