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261704-36-3 | 2-Naphthalenol, 1-(1,3-dithiolan-2-yl)-
CAS No: 261704-36-3 Catalog No: AG002RYT MDL No:
Product Description
Catalog Number:
AG002RYT
Chemical Name:
2-Naphthalenol, 1-(1,3-dithiolan-2-yl)-
CAS Number:
261704-36-3
Molecular Formula:
C13H12OS2
Molecular Weight:
248.3638
IUPAC Name:
1-(1,3-dithiolan-2-yl)naphthalen-2-ol
InChI:
InChI=1S/C13H12OS2/c14-11-6-5-9-3-1-2-4-10(9)12(11)13-15-7-8-16-13/h1-6,13-14H,7-8H2
InChI Key:
NPUDWXFFNTZTMS-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1C1SCCS1)cccc2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.358g/mol
Monoisotopic Mass:
248.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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