Thieno[3,4-b]-1,4-dioxin-5-carboxaldehyde, 2,3-dihydro-


Chemical Name: Thieno[3,4-b]-1,4-dioxin-5-carboxaldehyde, 2,3-dihydro-
CAS Number: 204905-77-1
Product Number: AG0029QJ(AGN-PC-0KW4V7)
Synonyms:
MDL No:
Molecular Formula: C7H6O3S
Molecular Weight: 170.1857

Identification/Properties


Computed Properties
Molecular Weight:
170.182g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
170.004g/mol
Monoisotopic Mass:
170.004g/mol
Topological Polar Surface Area:
63.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
162
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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