Home Carboxys 2-Furancarboxylic acid, 4-phenyl-

2-Furancarboxylic acid, 4-phenyl-

CAS No.:
86471-28-5
Catalog Number:
AG00IE33
Molecular Formula:
C11H8O3
Molecular Weight:
188.1794
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Product Description
Catalog Number:
AG00IE33
Chemical Name:
2-Furancarboxylic acid, 4-phenyl-
CAS Number:
86471-28-5
Molecular Formula:
C11H8O3
Molecular Weight:
188.1794
MDL Number:
MFCD20641655
IUPAC Name:
4-phenylfuran-2-carboxylic acid
InChI:
InChI=1S/C11H8O3/c12-11(13)10-6-9(7-14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChI Key:
KBGLLDCBYBKUIO-UHFFFAOYSA-N
SMILES:
OC(=O)c1occ(c1)c1ccccc1
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.047g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.182g/mol
Monoisotopic Mass:
188.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties