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209-21-2 | Naphth[1,8-cd]-1,2-oxathiole
CAS No: 209-21-2 Catalog No: AG002K08 MDL No:
Product Description
Catalog Number:
AG002K08
Chemical Name:
Naphth[1,8-cd]-1,2-oxathiole
CAS Number:
209-21-2
Molecular Formula:
C10H6OS
Molecular Weight:
174.2190
IUPAC Name:
2-oxa-3-thiatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
InChI:
InChI=1S/C10H6OS/c1-3-7-4-2-6-9-10(7)8(5-1)11-12-9/h1-6H
InChI Key:
CKPFNQYSVKOWLI-UHFFFAOYSA-N
SMILES:
c1cc2OSc3c2c(c1)ccc3
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.014g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.217g/mol
Monoisotopic Mass:
174.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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