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Home > Other Building Blocks > 89217-58-3
89217-58-3 | 9H-Xanthene-3-methanol, 7-(methylthio)-
CAS No: 89217-58-3 Catalog No: AG0043PS MDL No:
Product Description
Catalog Number:
AG0043PS
Chemical Name:
9H-Xanthene-3-methanol, 7-(methylthio)-
CAS Number:
89217-58-3
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
IUPAC Name:
(7-methylsulfanyl-9H-xanthen-3-yl)methanol
InChI:
InChI=1S/C15H14O2S/c1-18-13-4-5-14-12(8-13)7-11-3-2-10(9-16)6-15(11)17-14/h2-6,8,16H,7,9H2,1H3
InChI Key:
GCUZZGCJEFPWEU-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)Oc1c(C2)cc(cc1)SC
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.335g/mol
Monoisotopic Mass:
258.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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