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132628-15-0 | 9H-Xanthene-9-thiol, 9-(4-methoxyphenyl)-
CAS No: 132628-15-0 Catalog No: AG0010WO MDL No:
Product Description
Catalog Number:
AG0010WO
Chemical Name:
9H-Xanthene-9-thiol, 9-(4-methoxyphenyl)-
CAS Number:
132628-15-0
Molecular Formula:
C20H16O2S
Molecular Weight:
320.4048
IUPAC Name:
9-(4-methoxyphenyl)xanthene-9-thiol
InChI:
InChI=1S/C20H16O2S/c1-21-15-12-10-14(11-13-15)20(23)16-6-2-4-8-18(16)22-19-9-5-3-7-17(19)20/h2-13,23H,1H3
InChI Key:
GGHCCASEJMFUKB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(S)c2ccccc2Oc2c1cccc2
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.087g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.406g/mol
Monoisotopic Mass:
320.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
19.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| A new concept for DNA-arrays. | Nucleosides, nucleotides & nucleic acids 20030101 |
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