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1914-59-6,MFCD00196835
Catalog No.:AA002F4Y

1914-59-6 | 3-Butenoic acid, 2-oxo-4-phenyl-, (3E)-

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  • Technical Information
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Technical Information
Catalog Number:
AA002F4Y
Chemical Name:
3-Butenoic acid, 2-oxo-4-phenyl-, (3E)-
CAS Number:
1914-59-6
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD00196835
SMILES:
O=C(C(=O)O)/C=C/c1ccccc1
Properties
Computed Properties
 
Complexity:
224  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.8  

Literature

Title: Methyl 5-hy-droxy-3-phenyl-1,2-oxazolidine-5-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20120501

Title: Ethyl 2-hydr-oxy-5-oxo-4-phenyl-2,3,4,5-tetra-hydro-pyrano[3,2-c]chromene-2-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20090801

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Tags:1914-59-6 Molecular Formula|1914-59-6 MDL|1914-59-6 SMILES|1914-59-6 3-Butenoic acid, 2-oxo-4-phenyl-, (3E)-