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Home > Aldehydes > 2060005-33-4
2060005-33-4 | 5,5-dioxo-hexahydro-5lambda6-thieno[3,4-c]furan-3a-carbaldehyde
CAS No: 2060005-33-4 Catalog No: AG01BQV8 MDL No:MFCD30501982
Product Description
Catalog Number:
AG01BQV8
Chemical Name:
5,5-dioxo-hexahydro-5lambda6-thieno[3,4-c]furan-3a-carbaldehyde
CAS Number:
2060005-33-4
Molecular Formula:
C7H10O4S
Molecular Weight:
190.2169
MDL Number:
MFCD30501982
IUPAC Name:
5,5-dioxo-3,4,6,6a-tetrahydro-1H-thieno[3,4-c]furan-3a-carbaldehyde
InChI:
InChI=1S/C7H10O4S/c8-3-7-4-11-1-6(7)2-12(9,10)5-7/h3,6H,1-2,4-5H2
InChI Key:
GQHYEGBITQBMFL-UHFFFAOYSA-N
SMILES:
O=CC12COCC2CS(=O)(=O)C1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.213g/mol
Monoisotopic Mass:
190.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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