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87468-02-8 | 2-Furancarboxylic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
CAS No: 87468-02-8 Catalog No: AG004FO0 MDL No:
Product Description
Catalog Number:
AG004FO0
Chemical Name:
2-Furancarboxylic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
CAS Number:
87468-02-8
Molecular Formula:
C15H10O5
Molecular Weight:
270.2369
IUPAC Name:
(4-methyl-2-oxochromen-7-yl) furan-2-carboxylate
InChI:
InChI=1S/C15H10O5/c1-9-7-14(16)20-13-8-10(4-5-11(9)13)19-15(17)12-3-2-6-18-12/h2-8H,1H3
InChI Key:
WVAYNWNBGPUATF-UHFFFAOYSA-N
SMILES:
O=c1cc(C)c2c(o1)cc(cc2)OC(=O)c1ccco1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.24g/mol
Monoisotopic Mass:
270.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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