1,2-Benzenediol, 4-(2-nitroethenyl)-

HCID 5487258
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Basic information

Standard SMILES
O=[N+]([O-])C=Cc1ccc(O)c(O)c1
InChIKey
LLJASJHXECDHOM-UHFFFAOYSA-N
Molecular formula
C8H7NO4
Average molar mass
181.15 g/mol

Overview

4-(2-nitroethenyl)benzene-1,2-diol has been reported in Streptomyces lavendulae with data available.

Names & identifiers

Preferred name
1,2-Benzenediol, 4-(2-nitroethenyl)-
IUPAC
4-(2-nitroethenyl)benzene-1,2-diol

Names & synonyms

1-nitro-2-(3,4-dihydroxyphenyl)ethylene1,2-Benzenediol, 4-(2-nitroethenyl)-SCHEMBL2052285LLJASJHXECDHOM-UHFFFAOYSA-NAKOS017433921

Database identifiers

PubChem CID
5487258

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
86.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
13

Related reactions

2 records
New reaction record

Compound notes

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