Home Carboxys 5-(2-phenylethynyl)furan-3-carboxylic acid

5-(2-phenylethynyl)furan-3-carboxylic acid

CAS No.:
1111580-55-2
Catalog Number:
AG019U8I
Molecular Formula:
C13H8O3
Molecular Weight:
212.2008
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Product Description
Catalog Number:
AG019U8I
Chemical Name:
5-(2-phenylethynyl)furan-3-carboxylic acid
CAS Number:
1111580-55-2
Molecular Formula:
C13H8O3
Molecular Weight:
212.2008
MDL Number:
MFCD11839727
IUPAC Name:
5-(2-phenylethynyl)furan-3-carboxylic acid
InChI:
InChI=1S/C13H8O3/c14-13(15)11-8-12(16-9-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,14,15)
InChI Key:
AAZNXBGLAHTTGA-UHFFFAOYSA-N
SMILES:
OC(=O)c1coc(c1)C#Cc1ccccc1
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.047g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.204g/mol
Monoisotopic Mass:
212.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties