16281-39-3,MFCD08457970
Catalog No.:AA001TD0

16281-39-3 | 1H-2-Benzopyran-7-carboxylic acid, 5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
2 weeks  
$1,040.00   $728.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001TD0
Chemical Name:
1H-2-Benzopyran-7-carboxylic acid, 5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-
CAS Number:
16281-39-3
Molecular Formula:
C11H9ClO5
Molecular Weight:
256.6392
MDL Number:
MFCD08457970
SMILES:
CC1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)O
Properties
Properties
 
Form:
Solid  
MP:
248-250ºC  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
345  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Literature

Title: Ochratoxin A activates neutrophils and kills these cells through necrosis, an effect eliminated through its conversion into ochratoxin α.

Journal: Toxicology 20160810

Title: Ochratoxin A and its metabolite ochratoxin alpha in urine and assessment of the exposure of inhabitants of Lleida, Spain.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20110601

Title: Quantitative determination of mycotoxins in urine by LC-MS/MS.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20101201

Title: Chemical, physical and biological approaches to prevent ochratoxin induced toxicoses in humans and animals.

Journal: Toxins 20100701

Title: Ochratoxin A in ruminants−A review on its degradation by gut microbes and effects on animals.

Journal: Toxins 20100401

Title: Synthesis of pyran and pyranone natural products.

Journal: Molecules (Basel, Switzerland) 20040531

Title: Effect of feeding regime on the metabolism of ochratoxin A during the in vitro incubation in buffered rumen fluid from cows.

Journal: Archiv fur Tierernahrung 20010101

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SDS
Tags:16281-39-3 Molecular Formula|16281-39-3 MDL|16281-39-3 SMILES|16281-39-3 1H-2-Benzopyran-7-carboxylic acid, 5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-
Catalog No.: AA001TD0
16281-39-3,MFCD08457970
16281-39-3 | 1H-2-Benzopyran-7-carboxylic acid, 5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-
Pack Size: 1mg
Purity:
2 weeks
$1,040.00 $728.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA001TD0
Chemical Name: 1H-2-Benzopyran-7-carboxylic acid, 5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-
CAS Number: 16281-39-3
Molecular Formula: C11H9ClO5
Molecular Weight: 256.6392
MDL Number: MFCD08457970
SMILES: CC1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)O
Properties
Form: Solid  
MP: 248-250ºC  
Storage: 2-8℃;  
Complexity: 345  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Literature fold

Title: Ochratoxin A activates neutrophils and kills these cells through necrosis, an effect eliminated through its conversion into ochratoxin α.

Journal: Toxicology20160810

Title: Ochratoxin A and its metabolite ochratoxin alpha in urine and assessment of the exposure of inhabitants of Lleida, Spain.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association20110601

Title: Quantitative determination of mycotoxins in urine by LC-MS/MS.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment20101201

Title: Chemical, physical and biological approaches to prevent ochratoxin induced toxicoses in humans and animals.

Journal: Toxins20100701

Title: Ochratoxin A in ruminants−A review on its degradation by gut microbes and effects on animals.

Journal: Toxins20100401

Title: Synthesis of pyran and pyranone natural products.

Journal: Molecules (Basel, Switzerland)20040531

Title: Effect of feeding regime on the metabolism of ochratoxin A during the in vitro incubation in buffered rumen fluid from cows.

Journal: Archiv fur Tierernahrung20010101

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