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86017-93-8,MFCD18075372
Catalog No.:AA00IZOW

86017-93-8 | (3E)-4-(4-methoxyphenyl)-3-(methyl carboxy)but-3-enoic acid

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Technical Information
Catalog Number:
AA00IZOW
Chemical Name:
(3E)-4-(4-methoxyphenyl)-3-(methyl carboxy)but-3-enoic acid
CAS Number:
86017-93-8
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
MDL Number:
MFCD18075372
SMILES:
COc1ccc(cc1)/C=C(/C(=O)OC)\CC(=O)O
Properties
Computed Properties
 
Complexity:
326  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.6  

Literature
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SDS
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Tags:86017-93-8 Molecular Formula|86017-93-8 MDL|86017-93-8 SMILES|86017-93-8 (3E)-4-(4-methoxyphenyl)-3-(methyl carboxy)but-3-enoic acid