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67421-77-6 | 1,3-Dithiane-2-carboxaldehyde,2-(2-furanyl)-
CAS No: 67421-77-6 Catalog No: AG0061YJ MDL No:
Product Description
Catalog Number:
AG0061YJ
Chemical Name:
1,3-Dithiane-2-carboxaldehyde,2-(2-furanyl)-
CAS Number:
67421-77-6
Molecular Formula:
C9H10O2S2
Molecular Weight:
214.3045
IUPAC Name:
2-(furan-2-yl)-1,3-dithiane-2-carbaldehyde
InChI:
InChI=1S/C9H10O2S2/c10-7-9(8-3-1-4-11-8)12-5-2-6-13-9/h1,3-4,7H,2,5-6H2
InChI Key:
WBFWGZNHRYHCHF-UHFFFAOYSA-N
SMILES:
O=CC1(SCCCS1)c1ccco1
NSC Number:
320960
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.297g/mol
Monoisotopic Mass:
214.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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