Home Other Building Blocks 3-(3-fluorophenyl)but-2-enoic acid

3-(3-fluorophenyl)but-2-enoic acid

CAS No.:
1472-04-4
Catalog Number:
AG01AH88
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
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Product Description
Catalog Number:
AG01AH88
Chemical Name:
3-(3-fluorophenyl)but-2-enoic acid
CAS Number:
1472-04-4
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
IUPAC Name:
3-(3-fluorophenyl)but-2-enoic acid
InChI:
InChI=1S/C10H9FO2/c1-7(5-10(12)13)8-3-2-4-9(11)6-8/h2-6H,1H3,(H,12,13)
InChI Key:
VMVNCTFGRCBYFD-UHFFFAOYSA-N
SMILES:
OC(=O)C=C(c1cccc(c1)F)C
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.6  
Properties