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65152-30-9,MFCD00034680
Catalog No.:AA01BDBY

65152-30-9 | 4-(3,4-Dimethoxyphenyl)-2-oxobut-3-enoic acid

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Technical Information
Catalog Number:
AA01BDBY
Chemical Name:
4-(3,4-Dimethoxyphenyl)-2-oxobut-3-enoic acid
CAS Number:
65152-30-9
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
MDL Number:
MFCD00034680
SMILES:
COc1cc(C=CC(=O)C(=O)O)ccc1OC
Properties
Computed Properties
 
Complexity:
310  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.7  

Literature
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Additional Info:
SDS
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Tags:65152-30-9 Molecular Formula|65152-30-9 MDL|65152-30-9 SMILES|65152-30-9 4-(3,4-Dimethoxyphenyl)-2-oxobut-3-enoic acid