Home Other Building Blocks 4-(4-fluorophenyl)but-3-enoic acid

4-(4-fluorophenyl)but-3-enoic acid

CAS No.:
127404-66-4
Catalog Number:
AG019S64
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
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Product Description
Catalog Number:
AG019S64
Chemical Name:
4-(4-fluorophenyl)but-3-enoic acid
CAS Number:
127404-66-4
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
MDL Number:
MFCD18324918
IUPAC Name:
(E)-4-(4-fluorophenyl)but-3-enoic acid
InChI:
InChI=1S/C10H9FO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h1-2,4-7H,3H2,(H,12,13)/b2-1+
InChI Key:
QAGIVIOMWOTHEP-OWOJBTEDSA-N
SMILES:
OC(=O)CC=Cc1ccc(cc1)F
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.178g/mol
Monoisotopic Mass:
180.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties