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121879-12-7 | 1,3,6-Pyrenetrisulfonic acid, 8-methoxy-
CAS No: 121879-12-7 Catalog No: AG00168I MDL No:
Product Description
Catalog Number:
AG00168I
Chemical Name:
1,3,6-Pyrenetrisulfonic acid, 8-methoxy-
CAS Number:
121879-12-7
Molecular Formula:
C17H12O10S3
Molecular Weight:
472.4662
IUPAC Name:
8-methoxypyrene-1,3,6-trisulfonic acid
InChI:
InChI=1S/C17H12O10S3/c1-27-12-6-13(28(18,19)20)9-4-5-11-15(30(24,25)26)7-14(29(21,22)23)10-3-2-8(12)16(9)17(10)11/h2-7H,1H3,(H,18,19,20)(H,21,22,23)(H,24,25,26)
InChI Key:
CTERCLHSWSQHSD-UHFFFAOYSA-N
SMILES:
COc1cc(c2c3c1ccc1c3c(cc2)c(cc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
988
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.959g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
472.453g/mol
Monoisotopic Mass:
471.959g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Protein dynamics and the diversity of an antibody response. | The Journal of biological chemistry 20120803 |
| Biotinylation of ZnO nanoparticles and thin films: a two-step surface functionalization study. | ACS applied materials & interfaces 20100701 |
| Dynamics in organic ionic liquids in distinct regions using charged and uncharged orientational relaxation probes. | The journal of physical chemistry. B 20100304 |
| Solvent-dependent steady-state fluorescence spectroscopy for searching ESPT-dyes: solvatochromism of HPTS revisited. | Physical chemistry chemical physics : PCCP 20090307 |
| Pulmonary absorption of aerosolized fluorescent markers in the isolated rabbit lung. | International journal of pharmaceutics 20080303 |
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