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497083-19-9,MFCD01859616
Catalog No.:AA00IXAT

497083-19-9 | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}cyclohexane-1-carboxylic acid

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Technical Information
Catalog Number:
AA00IXAT
Chemical Name:
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}cyclohexane-1-carboxylic acid
CAS Number:
497083-19-9
Molecular Formula:
C20H26N2O5
Molecular Weight:
374.4308
MDL Number:
MFCD01859616
SMILES:
OC(=O)C1CCCCC1C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
Properties
Computed Properties
 
Complexity:
549  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
2  
XLogP3:
-0.4  

Literature
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SDS
Tags:497083-19-9 Molecular Formula|497083-19-9 MDL|497083-19-9 SMILES|497083-19-9 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}cyclohexane-1-carboxylic acid