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Home > Aldehydes > 1699262-61-7
1699262-61-7 | 5-[4-(methylsulfanyl)piperidin-1-yl]furan-2-carbaldehyde
CAS No: 1699262-61-7 Catalog No: AG01C8L1 MDL No:MFCD29494479
Product Description
Catalog Number:
AG01C8L1
Chemical Name:
5-[4-(methylsulfanyl)piperidin-1-yl]furan-2-carbaldehyde
CAS Number:
1699262-61-7
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD29494479
IUPAC Name:
5-(4-methylsulfanylpiperidin-1-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C11H15NO2S/c1-15-10-4-6-12(7-5-10)11-3-2-9(8-13)14-11/h2-3,8,10H,4-7H2,1H3
InChI Key:
QDWIZLVOHOBWNC-UHFFFAOYSA-N
SMILES:
CSC1CCN(CC1)c1ccc(o1)C=O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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