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925404-50-8

925404-50-8 | 4-((E)-3-Oxo-3-pyridin-3-yl-propenyl)-benzoic acid

CAS No: 925404-50-8 Catalog No: AG00H26K MDL No:

Product Description

Catalog Number:
AG00H26K
Chemical Name:
4-((E)-3-Oxo-3-pyridin-3-yl-propenyl)-benzoic acid
CAS Number:
925404-50-8
IUPAC Name:
4-(3-oxo-3-pyridin-3-ylprop-1-enyl)benzoic acid
InChI:
InChI=1S/C15H11NO3/c17-14(13-2-1-9-16-10-13)8-5-11-3-6-12(7-4-11)15(18)19/h1-10H,(H,18,19)
InChI Key:
IQXPECCXGPDCCW-UHFFFAOYSA-N

Properties

Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.1  

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