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Home Other Building Blocks 66997-64-6
66997-64-6,MFCD30833926
Catalog No.:AA006MWA

66997-64-6 | Octanoic acid, 3-hydroxy-, methyl ester, (3S)-

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Technical Information
Catalog Number:
AA006MWA
Chemical Name:
Octanoic acid, 3-hydroxy-, methyl ester, (3S)-
CAS Number:
66997-64-6
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
MDL Number:
MFCD30833926
SMILES:
CCCCC[C@@H](CC(=O)OC)O
Properties
Computed Properties
 
Complexity:
123  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
7  
XLogP3:
1.8  

Literature
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Additional Info:
SDS
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Tags:66997-64-6 Molecular Formula|66997-64-6 MDL|66997-64-6 SMILES|66997-64-6 Octanoic acid, 3-hydroxy-, methyl ester, (3S)-