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130423-85-7 | 2-Furancarboxylic acid, 5-(2-phenylethynyl)-, methyl ester
CAS No: 130423-85-7 Catalog No: AG000UES MDL No:MFCD00203990
Product Description
Catalog Number:
AG000UES
Chemical Name:
2-Furancarboxylic acid, 5-(2-phenylethynyl)-, methyl ester
CAS Number:
130423-85-7
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
MDL Number:
MFCD00203990
IUPAC Name:
methyl 5-(2-phenylethynyl)furan-2-carboxylate
InChI:
InChI=1S/C14H10O3/c1-16-14(15)13-10-9-12(17-13)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3
InChI Key:
XBGYVGZZCQDFDV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(o1)C#Cc1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.231g/mol
Monoisotopic Mass:
226.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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