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1-(2-Hydroxy-5-nitrophenyl)propan-1-one - 98%, high purity , CAS No.55805-95-3

COA

Grade & Purity:

≥98%

Cas Number: 55805-95-3
Molecular Weight: 195.18
PubChem CID: 13157006

In stock

Item Number

H193930

Grouped product items
SKU	Size	Availability	Price	Qty
H193930-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
H193930-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$52.90

Basic Description

Synonyms	1-(2-Hydroxy-5-nitrophenyl)propan-1-one \| 55805-95-3 \| SCHEMBL6565927 \| DTXSID10523018 \| XNYKMZXGGPYALK-UHFFFAOYSA-N \| MFCD00218587 \| AKOS000112314 \| DS-3064 \| CS-0152662 \| C75621 \| A870094
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Nitrophenols Phenylpropanes Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Nitrophenol - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors	Not available
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	1-(2-hydroxy-5-nitrophenyl)propan-1-one
INCHI	InChI=1S/C9H9NO4/c1-2-8(11)7-5-6(10(13)14)3-4-9(7)12/h3-5,12H,2H2,1H3
InChIKey	XNYKMZXGGPYALK-UHFFFAOYSA-N
Smiles	CCC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O
Isomeric SMILES	CCC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O
Molecular Weight	195.18
Reaxy-Rn	2265491
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2265491&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	195.170 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	195.053 Da
Monoisotopic Mass	195.053 Da
Topological Polar Surface Area	83.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	235.000
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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