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18999-28-5,MFCD00014019
Catalog No.:AA002E4H

18999-28-5 | Hept-2-enoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97+%
in stock  
$36.00   $25.00
- +
5g
97+%
in stock  
$177.00   $124.00
- +
25g
97+%
in stock  
$880.00   $616.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002E4H
Chemical Name:
Hept-2-enoic acid
CAS Number:
18999-28-5
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD00014019
SMILES:
CCCCC=CC(=O)O
NSC Number:
244947
FEMA Number:
3920
Properties
Properties
 
Form:
Liquid  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
106  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Delaby;Guillot-Allegre[BulletindelaSocieteChimiquedeFrance,1933,vol.<4>53,p.314]Martin;Schepartz;Daubert[JournaloftheAmericanChemicalSociety,1948,vol.70,p.2601]

18999-28-5   
hept-2<i>t</i>-enoicacid-(4-bromo-anilide) 

[1]Mortonetal.[JournaloftheAmericanChemicalSociety,1950,vol.72,p.3785,3790]

[1]Delaby;Guillot-Allegre[BulletindelaSocieteChimiquedeFrance,1933,vol.&lt;4&gt;53,p.314]

[1]Gershon,H.etal.[JournalofMedicinalChemistry,1973,vol.16,p.1407-1409]

[1]CurrentPatentAssignee:MERCK&amp;COINC-WO2011/14494,2011,A1Locationinpatent:Page/Pagecolumn41

[2]Shabtai,Joseph;Ney-Igner,Eva[JournalofOrganicChemistry,1981,vol.46,#19,p.3795-3802]

[3]Wang,Guojin;Tang,Yu;Zhang,Yu;Liu,Xiaohua;Lin,Lili;Feng,Xiaoming[Chemistry-AEuropeanJournal,2017,vol.23,#3,p.554-557]

Literature
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SDS
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