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54313-75-6

54313-75-6 | 1-(3-pyridyl)-1-hydroxy-3-phenyl-2-propene

CAS No: 54313-75-6 Catalog No: AG00E46W MDL No:

Product Description

Catalog Number:
AG00E46W
Chemical Name:
1-(3-pyridyl)-1-hydroxy-3-phenyl-2-propene
CAS Number:
54313-75-6
IUPAC Name:
(E)-3-phenyl-1-pyridin-3-ylprop-2-en-1-ol
InChI:
InChI=1S/C14H13NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-11,14,16H/b9-8+
InChI Key:
VSRIZGGWJMIHIO-CMDGGOBGSA-N

Properties

Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Literature

Title Journal
Photolabeling of tissue transglutaminase reveals the binding mode of potent cinnamoyl inhibitors. Biochemistry 20090421

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