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15052-42-3 | Phosphoric acid, 5-hydroxy-4-pyrenyl dimethyl ester (8CI)
CAS No: 15052-42-3 Catalog No: AG001MP2 MDL No:
Product Description
Catalog Number:
AG001MP2
Chemical Name:
Phosphoric acid, 5-hydroxy-4-pyrenyl dimethyl ester (8CI)
CAS Number:
15052-42-3
Molecular Formula:
C18H15O5P
Molecular Weight:
342.2825
IUPAC Name:
(5-hydroxypyren-4-yl) dimethyl phosphate
InChI:
InChI=1S/C18H15O5P/c1-21-24(20,22-2)23-18-14-8-4-6-12-10-9-11-5-3-7-13(17(18)19)15(11)16(12)14/h3-10,19H,1-2H3
InChI Key:
HWCHZQZBNHUGGP-UHFFFAOYSA-N
SMILES:
COP(=O)(Oc1c(O)c2cccc3c2c2c1cccc2cc3)OC
NSC Number:
88652
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.066g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.287g/mol
Monoisotopic Mass:
342.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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