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259139-19-0 | 2H-Thieno[3,4-b][1,4]dioxepin, 3,3-diethyl-3,4-dihydro-
CAS No: 259139-19-0 Catalog No: AG002R0A MDL No:
Product Description
Catalog Number:
AG002R0A
Chemical Name:
2H-Thieno[3,4-b][1,4]dioxepin, 3,3-diethyl-3,4-dihydro-
CAS Number:
259139-19-0
Molecular Formula:
C11H16O2S
Molecular Weight:
212.3085
IUPAC Name:
3,3-diethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
InChI:
InChI=1S/C11H16O2S/c1-3-11(4-2)7-12-9-5-14-6-10(9)13-8-11/h5-6H,3-4,7-8H2,1-2H3
InChI Key:
HMKHKPKUPVRLOW-UHFFFAOYSA-N
SMILES:
CCC1(CC)COc2c(OC1)csc2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.307g/mol
Monoisotopic Mass:
212.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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