4-Hydroxy-3-nitrobenzyl alcohol

AlkaPlorer ID: AK301629

Synonym: 4-Hydroxy-3-nitrobenzenemethanol, α,4-Dihydroxy-3-nitrotoluene, 2-Nitro-4-(hydroxymethyl)phenol

IUPAC Name: 4-(hydroxymethyl)-2-nitrophenol

Structure

SMILES: O=[N+]([O-])C1=C(O)C=CC(CO)=C1

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InChI: InChI=1S/C7H7NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3,9-10H,4H2

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InChIKey: IMLGJYRKLCMJPI-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 169.13599999999997

TPSA: 83.60000000000001

MolLogP: 0.7927

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information