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866144-55-0,MFCD03305896
Catalog No.:AA00ISYP

866144-55-0 | 4-methyl-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)hexanoic acid

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Technical Information
Catalog Number:
AA00ISYP
Chemical Name:
4-methyl-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)hexanoic acid
CAS Number:
866144-55-0
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
MDL Number:
MFCD03305896
SMILES:
CCC(C(N1Cc2c(C1=O)cccc2)CC(=O)O)C
Properties
Computed Properties
 
Complexity:
355  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
2  
XLogP3:
2.2  

Literature
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SDS
Tags:866144-55-0 Molecular Formula|866144-55-0 MDL|866144-55-0 SMILES|866144-55-0 4-methyl-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)hexanoic acid