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49661-01-0,MFCD30472160
Catalog No.:AA01DTMK

49661-01-0 | (E)-4-(4-Bromophenyl)-3-Methyl-4-Oxobut-2-Enoic Acid

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Technical Information
Catalog Number:
AA01DTMK
Chemical Name:
(E)-4-(4-Bromophenyl)-3-Methyl-4-Oxobut-2-Enoic Acid
CAS Number:
49661-01-0
Molecular Formula:
C11H9BrO3
Molecular Weight:
269.0914
MDL Number:
MFCD30472160
SMILES:
O=C(c1ccc(cc1)Br)C(=CC(=O)O)C
Properties
Computed Properties
 
Complexity:
288  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.4  

Literature
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SDS
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Tags:49661-01-0 Molecular Formula|49661-01-0 MDL|49661-01-0 SMILES|49661-01-0 (E)-4-(4-Bromophenyl)-3-Methyl-4-Oxobut-2-Enoic Acid