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126213-53-4 | Thieno[3,4-b]-1,4-dioxin, 2-hexyl-2,3-dihydro-
CAS No: 126213-53-4 Catalog No: AG000SCV MDL No:
Product Description
Catalog Number:
AG000SCV
Chemical Name:
Thieno[3,4-b]-1,4-dioxin, 2-hexyl-2,3-dihydro-
CAS Number:
126213-53-4
Molecular Formula:
C12H18O2S
Molecular Weight:
226.3351
IUPAC Name:
3-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
InChI:
InChI=1S/C12H18O2S/c1-2-3-4-5-6-10-7-13-11-8-15-9-12(11)14-10/h8-10H,2-7H2,1H3
InChI Key:
GNKLXVLAGYHFRJ-UHFFFAOYSA-N
SMILES:
CCCCCCC1COc2c(O1)csc2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.103g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.334g/mol
Monoisotopic Mass:
226.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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