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130423-83-5 | 2-Furancarboxylic acid, 5-(2-phenylethynyl)-
CAS No: 130423-83-5 Catalog No: AG000UET MDL No:MFCD00541949
Product Description
Catalog Number:
AG000UET
Chemical Name:
2-Furancarboxylic acid, 5-(2-phenylethynyl)-
CAS Number:
130423-83-5
Molecular Formula:
C13H8O3
Molecular Weight:
212.2008
MDL Number:
MFCD00541949
IUPAC Name:
5-(2-phenylethynyl)furan-2-carboxylic acid
InChI:
InChI=1S/C13H8O3/c14-13(15)12-9-8-11(16-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,14,15)
InChI Key:
HFYACYZCOUYIFR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(o1)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:
2.9
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