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178172-34-4,MFCD09031187
Catalog No.:AA0025QD

178172-34-4 | 1H-Azepine-1-carboxylic acid, hexahydro-2-hydroxy-, 1,1-dimethylethyl ester

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
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  • Download SDS
Technical Information
Catalog Number:
AA0025QD
Chemical Name:
1H-Azepine-1-carboxylic acid, hexahydro-2-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
178172-34-4
Molecular Formula:
C11H21NO3
Molecular Weight:
215.2893
MDL Number:
MFCD09031187
SMILES:
OC1CCCCCN1C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Literature
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SDS
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Tags:178172-34-4 Molecular Formula|178172-34-4 MDL|178172-34-4 SMILES|178172-34-4 1H-Azepine-1-carboxylic acid, hexahydro-2-hydroxy-, 1,1-dimethylethyl ester
Catalog No.: AA0025QD
178172-34-4,MFCD09031187
178172-34-4 | 1H-Azepine-1-carboxylic acid, hexahydro-2-hydroxy-, 1,1-dimethylethyl ester
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA0025QD
Chemical Name: 1H-Azepine-1-carboxylic acid, hexahydro-2-hydroxy-, 1,1-dimethylethyl ester
CAS Number: 178172-34-4
Molecular Formula: C11H21NO3
Molecular Weight: 215.2893
MDL Number: MFCD09031187
SMILES: OC1CCCCCN1C(=O)OC(C)(C)C
Properties
Complexity: 222  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
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