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61475-31-8,MFCD00057821
Catalog No.:AA003CF0

61475-31-8 | S-(+)-Hexahydromandelic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
1 week  
$35.00   $25.00
- +
250mg
97%
1 week  
$43.00   $30.00
- +
1g
97%
1 week  
$169.00   $118.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003CF0
Chemical Name:
S-(+)-Hexahydromandelic acid
CAS Number:
61475-31-8
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD00057821
SMILES:
C1CCC(CC1)C(C(=O)O)O
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
138  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.5  

Downstream Synthesis Route

[1]Riley,DennisP.;Shumate,RobertE.[JournalofOrganicChemistry,1980,vol.45,#25,p.5187-5193]

[2]CurrentPatentAssignee:PROCTER&GAMBLECO-US4331818,1982,A

[3]Masamune,Satoru;Choy,William;Kerdesky,FrancisA.J.;Imperiali,Barbara[JournaloftheAmericanChemicalSociety,1981,vol.103,#6,p.1566-1568]

(1R,2R)-2-(Cyano-cyclohexyl-methoxy)-1-methyl-2-phenyl-ethyl-trimethyl-ammonium;iodide 
  53585-93-6    61475-31-8 

[1]TetrahedronLetters,1993,vol.34,p.8325-8328

(1S,2S)-2-(Cyano-cyclohexyl-methoxy)-1-methyl-2-phenyl-ethyl-trimethyl-ammonium;iodide 
  53585-93-6    61475-31-8 

[1]TetrahedronLetters,1993,vol.34,p.8325-8328

[1]ChemicalCommunications,2014,vol.50,p.15987-15990

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:61475-31-8 Molecular Formula|61475-31-8 MDL|61475-31-8 SMILES|61475-31-8 S-(+)-Hexahydromandelic acid
Catalog No.: AA003CF0
61475-31-8,MFCD00057821
61475-31-8 | S-(+)-Hexahydromandelic acid
Pack Size： 100mg
Purity： 97%
1 week
$35.00 $25.00
Pack Size： 250mg
Purity： 97%
1 week
$43.00 $30.00
Pack Size： 1g
Purity： 97%
1 week
$169.00 $118.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003CF0
Chemical Name: S-(+)-Hexahydromandelic acid
CAS Number: 61475-31-8
Molecular Formula: C8H14O3
Molecular Weight: 158.1950
MDL Number: MFCD00057821
SMILES: C1CCC(CC1)C(C(=O)O)O
Properties
Form: Solid  
Complexity: 138  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.5  
Downstream Synthesis Route
17199-29-0    61475-31-8 

[1]Riley,DennisP.;Shumate,RobertE.[JournalofOrganicChemistry,1980,vol.45,#25,p.5187-5193]

[2]CurrentPatentAssignee:PROCTER&GAMBLECO-US4331818,1982,A

[3]Masamune,Satoru;Choy,William;Kerdesky,FrancisA.J.;Imperiali,Barbara[JournaloftheAmericanChemicalSociety,1981,vol.103,#6,p.1566-1568]

(1R,2R)-2-(Cyano-cyclohexyl-methoxy)-1-methyl-2-phenyl-ethyl-trimethyl-ammonium;iodide 
  53585-93-6    61475-31-8 

[1]TetrahedronLetters,1993,vol.34,p.8325-8328

(1S,2S)-2-(Cyano-cyclohexyl-methoxy)-1-methyl-2-phenyl-ethyl-trimethyl-ammonium;iodide 
  53585-93-6    61475-31-8 

[1]TetrahedronLetters,1993,vol.34,p.8325-8328

4354-49-8    53585-93-6    61475-31-8 

[1]ChemicalCommunications,2014,vol.50,p.15987-15990

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