N'-(2,3-dihydroxybenzylidene)-2-hydroxybenzohydrazide
PubChem CID
135444127
Structure
Molecular Formula
Synonyms
- 92071-89-1
- N'-(2,3-dihydroxybenzylidene)-2-hydroxybenzohydrazide
- MDG486
- SCHEMBL10049700
- CHEBI:95298
Molecular Weight
272.26 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2019-01-15
- Modify:2025-02-01
Description
2-hydroxy-N'-[(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]benzohydrazide is a member of salicylamides.
Chemical Structure Depiction
COD Number
Associated Article
Sutradhar, Manas; Alegria, Elisabete C. B. A.; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.. Iron(iii) and cobalt(iii) complexes with both tautomeric (keto and enol) forms of aroylhydrazone ligands: catalysts for the microwave assisted oxidation of alcohols. RSC Advances 2016;6(10):8079-. DOI: 10.1039/C5RA25774C
Hermann-Mauguin space group symbol
P 1 21/c 1
Hall space group symbol
-P 2ybc
Space group number
14
a
8.9865 Å
b
9.5514 Å
c
14.1428 Å
α
90 °
β
90.2030 °
γ
90 °
Z
4
Z'
1
Residual factor
0.0557
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-hydroxybenzamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C14H12N2O4/c17-11-6-2-1-5-10(11)14(20)16-15-8-9-4-3-7-12(18)13(9)19/h1-8,17-19H,(H,16,20)/b15-8+
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
GZBFTEUFUFKVOD-OVCLIPMQSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C(=CC=C2)O)O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C14H12N2O4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 92071-89-1
- N'-(2,3-dihydroxybenzylidene)-2-hydroxybenzohydrazide
- MDG486
- SCHEMBL10049700
- CHEBI:95298
- STK093917
- AKOS000483418
- AKOS040748882
- AG-690/11450119
- Salicylic acid 2-[(2,3-dihydroxyphenyl)methylene]hydrazide
- N'-[(E)-(2,3-dihydroxyphenyl)methylidene]-2-hydroxybenzohydrazide
- N-[(E)-(2,3-dihydroxyphenyl)methyleneamino]-2-hydroxy-benzamide
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
272.26 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
2.3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
272.07970687 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
272.07970687 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
102 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
20
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
361
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=GZBFTEUFUFKVOD-OVCLIPMQSA-N
- ChEBI2-hydroxy-N'-[(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]benzohydrazidehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:95298
- Crystallography Open Database (COD)LICENSEAll data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.https://creativecommons.org/publicdomain/zero/1.0/
- SpectraBase2-Hydroxy-benzoic acid (2,3-dihydroxy-benzylidene)-hydrazidehttps://spectrabase.com/spectrum/7CJjkFINPtC
- PubChem
- PATENTSCOPE (WIPO)SID 393990984https://pubchem.ncbi.nlm.nih.gov/substance/393990984
CONTENTS