1138-41-6,MFCD22054365
Catalog No.:AA008W4V

1138-41-6 | 4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
in stock  
$91.00   $64.00
- +
1g
95%
in stock  
$610.00   $427.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008W4V
Chemical Name:
4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid
CAS Number:
1138-41-6
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD22054365
SMILES:
CC(=CCc1cc(ccc1O)C(=O)O)C
Properties
Computed Properties
 
Complexity:
254  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3  

Downstream Synthesis Route

[1]Spenceretal.[JournaloftheAmericanChemicalSociety,1958,vol.80,p.140,143]

[1]Kaczkaetal.[JournaloftheAmericanChemicalSociety,1956,vol.78,p.4125]

[1]Abraham,Wolf-Rainer;Arfmann,Hans-Adolf[Phytochemistry,1990,vol.29,#8,p.2641-2644]

[1]Abraham,Wolf-Rainer;Arfmann,Hans-Adolf[Phytochemistry,1990,vol.29,#8,p.2641-2644]

[2]Abraham,Wolf-Rainer;Arfmann,Hans-Adolf[Phytochemistry,1990,vol.29,#8,p.2641-2644]

Literature

Title: Spartinoxide, a new enantiomer of A82775C with inhibitory activity toward HLE from the marine-derived Fungus Phaeosphaeria spartinae.

Journal: Natural product communications 20100701

Title: Cochliones A-D, four new tetrahydrochromanone derivatives from endophytic Cochliobolus sp.

Journal: Journal of Asian natural products research 20100601

Title: Synthesis and biological activity of fungal metabolite, 4-hydroxy-3-(3'-methyl-2'-butenyl)-benzoic acid.

Journal: Journal of microbiology and biotechnology 20070301

Title: Characterization of the aminocoumarin ligase SimL from the simocyclinone pathway and tandem incubation with NovM,P,N from the novobiocin pathway.

Journal: Biochemistry 20050329

Title: Cell cycle inhibitory activity of 4-hydroxy-3-(3'-methyl-2'-butenyl)-benzoic acid from Curvularia sp. KF119.

Journal: The Journal of antibiotics 20040901

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SDS
Tags:1138-41-6 Molecular Formula|1138-41-6 MDL|1138-41-6 SMILES|1138-41-6 4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid
Catalog No.: AA008W4V
1138-41-6,MFCD22054365
1138-41-6 | 4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid
Pack Size: 50mg
Purity: 95%
in stock
$91.00 $64.00
Pack Size: 1g
Purity: 95%
in stock
$610.00 $427.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA008W4V
Chemical Name: 4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid
CAS Number: 1138-41-6
Molecular Formula: C12H14O3
Molecular Weight: 206.2378
MDL Number: MFCD22054365
SMILES: CC(=CCc1cc(ccc1O)C(=O)O)C
Properties
Complexity: 254  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3  
Downstream Synthesis Route
1138-41-6    102012-55-5 

[1]Spenceretal.[JournaloftheAmericanChemicalSociety,1958,vol.80,p.140,143]

1145-42-2    1138-41-6 

[1]Kaczkaetal.[JournaloftheAmericanChemicalSociety,1956,vol.78,p.4125]

89-86-1    80008-48-6    1138-41-6    99-96-7 

[1]Abraham,Wolf-Rainer;Arfmann,Hans-Adolf[Phytochemistry,1990,vol.29,#8,p.2641-2644]

150-13-0    1138-41-6    131989-76-9 

[1]Abraham,Wolf-Rainer;Arfmann,Hans-Adolf[Phytochemistry,1990,vol.29,#8,p.2641-2644]

[2]Abraham,Wolf-Rainer;Arfmann,Hans-Adolf[Phytochemistry,1990,vol.29,#8,p.2641-2644]

Literature fold

Title: Spartinoxide, a new enantiomer of A82775C with inhibitory activity toward HLE from the marine-derived Fungus Phaeosphaeria spartinae.

Journal: Natural product communications20100701

Title: Cochliones A-D, four new tetrahydrochromanone derivatives from endophytic Cochliobolus sp.

Journal: Journal of Asian natural products research20100601

Title: Synthesis and biological activity of fungal metabolite, 4-hydroxy-3-(3'-methyl-2'-butenyl)-benzoic acid.

Journal: Journal of microbiology and biotechnology20070301

Title: Characterization of the aminocoumarin ligase SimL from the simocyclinone pathway and tandem incubation with NovM,P,N from the novobiocin pathway.

Journal: Biochemistry20050329

Title: Cell cycle inhibitory activity of 4-hydroxy-3-(3'-methyl-2'-butenyl)-benzoic acid from Curvularia sp. KF119.

Journal: The Journal of antibiotics20040901

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