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Home > Aldehydes > 861648-73-9
861648-73-9 | Benzaldehyde,4-(2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl)-
CAS No: 861648-73-9 Catalog No: AG008F60 MDL No:
Product Description
Catalog Number:
AG008F60
Chemical Name:
Benzaldehyde,4-(2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl)-
CAS Number:
861648-73-9
Molecular Formula:
C13H10O3S
Molecular Weight:
246.2817
IUPAC Name:
4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)benzaldehyde
InChI:
InChI=1S/C13H10O3S/c14-7-9-1-3-10(4-2-9)13-12-11(8-17-13)15-5-6-16-12/h1-4,7-8H,5-6H2
InChI Key:
QLNYREQMBWRUEI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1scc2c1OCCO2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.28g/mol
Monoisotopic Mass:
246.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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