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3-Formyl-2-hydroxybenzoic acid , CAS No.610-04-8

COA

Cas Number: 610-04-8
EC Number: 684-827-8
PubChem CID: 69117

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Item Number

F694251

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SKU	Size	Availability	Price	Qty
F694251-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,762.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Hydroxybenzoic acid derivatives
        Level6 Salicylic acid and derivatives
        Level7 Salicylic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct Parent	Salicylic acids
Alternative Parents	Hydroxybenzaldehydes Benzoic acids Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Salicylic acid - Benzoic acid - Hydroxybenzaldehyde - Benzaldehyde - Benzoyl - Aryl-aldehyde - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.
External Descriptors	phenols - aldehyde - monohydroxybenzoic acid
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	3-formyl-2-hydroxybenzoic acid
INCHI	InChI=1S/C8H6O4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H,(H,11,12)
InChIKey	YOEUNKPREOJHBW-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)C(=O)O)O)C=O
Isomeric SMILES	C1=CC(=C(C(=C1)C(=O)O)O)C=O
Alternate CAS	610-04-8
PubChem CID	69117
NSC Number	55753
MeSH Entry Terms	3-formylsalicylic acid;5-formylsalicylic acid

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	166.130 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	166.027 Da
Monoisotopic Mass	166.027 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	189.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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