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866429-63-2 | 9H-Xanthen-9-ol, 9-(2-methyl-1,3-dithian-2-yl)-
CAS No: 866429-63-2 Catalog No: AG004KXS MDL No:
Product Description
Catalog Number:
AG004KXS
Chemical Name:
9H-Xanthen-9-ol, 9-(2-methyl-1,3-dithian-2-yl)-
CAS Number:
866429-63-2
Molecular Formula:
C18H18O2S2
Molecular Weight:
330.4643
IUPAC Name:
9-(2-methyl-1,3-dithian-2-yl)xanthen-9-ol
InChI:
InChI=1S/C18H18O2S2/c1-17(21-11-6-12-22-17)18(19)13-7-2-4-9-15(13)20-16-10-5-3-8-14(16)18/h2-5,7-10,19H,6,11-12H2,1H3
InChI Key:
YINSVDXULFKKHN-UHFFFAOYSA-N
SMILES:
CC1(SCCCS1)C1(O)c2ccccc2Oc2c1cccc2
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.46g/mol
Monoisotopic Mass:
330.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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