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866042-96-8,MFCD05670625
Catalog No.:AA00IZUO

866042-96-8 | 2-[(4E)-4-[(4-bromophenyl)methylidene]-3-oxo-2-pentylcyclopentyl]acetic acid

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Technical Information
Catalog Number:
AA00IZUO
Chemical Name:
2-[(4E)-4-[(4-bromophenyl)methylidene]-3-oxo-2-pentylcyclopentyl]acetic acid
CAS Number:
866042-96-8
Molecular Formula:
C19H23BrO3
Molecular Weight:
379.2881
MDL Number:
MFCD05670625
SMILES:
CCCCCC1C(CC(=O)O)C/C(=C\c2ccc(cc2)Br)/C1=O
Properties
Computed Properties
 
Complexity:
450  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
1  
XLogP3:
5.1  

Literature
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SDS
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Tags:866042-96-8 Molecular Formula|866042-96-8 MDL|866042-96-8 SMILES|866042-96-8 2-[(4E)-4-[(4-bromophenyl)methylidene]-3-oxo-2-pentylcyclopentyl]acetic acid