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Home > Aldehydes > 856943-78-7
856943-78-7 | 5-(benzylsulfanyl)furan-2-carbaldehyde
CAS No: 856943-78-7 Catalog No: AG01ANBF MDL No:MFCD18887726
Product Description
Catalog Number:
AG01ANBF
Chemical Name:
5-(benzylsulfanyl)furan-2-carbaldehyde
CAS Number:
856943-78-7
Molecular Formula:
C12H10O2S
Molecular Weight:
218.2716
MDL Number:
MFCD18887726
IUPAC Name:
5-benzylsulfanylfuran-2-carbaldehyde
InChI:
InChI=1S/C12H10O2S/c13-8-11-6-7-12(14-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
GFZUFNADGZBQMX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)SCc1ccccc1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.27g/mol
Monoisotopic Mass:
218.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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