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KM91104 - 10mM in DMSO, high purity , CAS No.304481-60-5(DMSO)
Basic Description
Synonyms
3,4-dihydroxy-N'-(2-hydroxybenzylidene)benzohydrazide | 304481-60-5 | KM91104 | 3,4-dihydroxy-N-[(2-hydroxyphenyl)methylideneamino]benzamide | KM 91104 | SCHEMBL2318635 | FT-0667083
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Application:
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Catechols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Catechol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
3,4-dihydroxy-N-[(2-hydroxyphenyl)methylideneamino]benzamide
INCHI
InChI=1S/C14H12N2O4/c17-11-4-2-1-3-10(11)8-15-16-14(20)9-5-6-12(18)13(19)7-9/h1-8,17-19H,(H,16,20)
InChIKey
GWVYHPUGEQGQSF-UHFFFAOYSA-N
Smiles
C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=C(C=C2)O)O)O
Isomeric SMILES
C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=C(C=C2)O)O)O
WGK Germany
3
Molecular Weight
272.26
Reaxy-Rn
15786730
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15786730&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
272.260 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
272.08 Da
Monoisotopic Mass
272.08 Da
Topological Polar Surface Area
102.000 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
361.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
1
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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