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29244-39-1 | 1,11-Ethano-5H,7H-dibenz[b,g][1,5]oxathiocin
CAS No: 29244-39-1 Catalog No: AG002XU8 MDL No:
Product Description
Catalog Number:
AG002XU8
Chemical Name:
1,11-Ethano-5H,7H-dibenz[b,g][1,5]oxathiocin
CAS Number:
29244-39-1
Molecular Formula:
C16H14OS
Molecular Weight:
254.3468
IUPAC Name:
15-oxa-7-thiatetracyclo[11.3.2.05,16.09,14]octadeca-1(16),2,4,9,11,13-hexaene
InChI:
InChI=1S/C16H14OS/c1-3-11-7-8-12-4-2-6-14-10-18-9-13(5-1)15(11)17-16(12)14/h1-6H,7-10H2
InChI Key:
WGTBQQUPZKFKKQ-UHFFFAOYSA-N
SMILES:
S1Cc2cccc3c2Oc2c(C1)cccc2CC3
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.347g/mol
Monoisotopic Mass:
254.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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