Home Other Building Blocks 3-(5-fluoropyridin-3-yl)prop-2-enoic acid

3-(5-fluoropyridin-3-yl)prop-2-enoic acid

CAS No.:
118419-96-8
Catalog Number:
AG01AB0E
Molecular Formula:
C8H6FNO2
Molecular Weight:
167.1371
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Product Description
Catalog Number:
AG01AB0E
Chemical Name:
3-(5-fluoropyridin-3-yl)prop-2-enoic acid
CAS Number:
118419-96-8
Molecular Formula:
C8H6FNO2
Molecular Weight:
167.1371
MDL Number:
MFCD03265776
IUPAC Name:
(E)-3-(5-fluoropyridin-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C8H6FNO2/c9-7-3-6(4-10-5-7)1-2-8(11)12/h1-5H,(H,11,12)/b2-1+
InChI Key:
ZPEUSCORKLJHLE-OWOJBTEDSA-N
SMILES:
OC(=O)C=Cc1cncc(c1)F
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
167.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.139g/mol
Monoisotopic Mass:
167.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties