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123900-18-5 | Butanoic acid, pyrenyl ester (9CI)
CAS No: 123900-18-5 Catalog No: AG000L7Z MDL No:
Product Description
Catalog Number:
AG000L7Z
Chemical Name:
Butanoic acid, pyrenyl ester (9CI)
CAS Number:
123900-18-5
Molecular Formula:
C20H16O2
Molecular Weight:
288.3398
IUPAC Name:
pyren-1-yl butanoate
InChI:
InChI=1S/C20H16O2/c1-2-4-18(21)22-17-12-10-15-8-7-13-5-3-6-14-9-11-16(17)20(15)19(13)14/h3,5-12H,2,4H2,1H3
InChI Key:
AJMSJNPWXJCWOK-UHFFFAOYSA-N
SMILES:
CCCC(=O)Oc1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.346g/mol
Monoisotopic Mass:
288.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Fluorescence labeling of oligosaccharides useful in the determination of molecular interactions. | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20030101 |
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