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68922-05-4 | Acetaldehyde,2-(2-furanylthio)-
CAS No: 68922-05-4 Catalog No: AG005N5X MDL No:
Product Description
Catalog Number:
AG005N5X
Chemical Name:
Acetaldehyde,2-(2-furanylthio)-
CAS Number:
68922-05-4
Molecular Formula:
C6H6O2S
Molecular Weight:
142.1756
IUPAC Name:
2-(furan-2-ylsulfanyl)acetaldehyde
InChI:
InChI=1S/C6H6O2S/c7-3-5-9-6-2-1-4-8-6/h1-4H,5H2
InChI Key:
GVJSZSKAOYMXAT-UHFFFAOYSA-N
SMILES:
O=CCSc1ccco1
EC Number:
272-977-3
Properties
Complexity:
95.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.009g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.172g/mol
Monoisotopic Mass:
142.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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