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1592321-08-8 | 4-(3-hydroxy-4-methylpiperidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1592321-08-8 Catalog No: AG01C8R8 MDL No:MFCD31443212
Product Description
Catalog Number:
AG01C8R8
Chemical Name:
4-(3-hydroxy-4-methylpiperidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1592321-08-8
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD31443212
IUPAC Name:
4-(3-hydroxy-4-methylpiperidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H15NO2S/c1-8-2-3-12(5-11(8)14)9-4-10(6-13)15-7-9/h4,6-8,11,14H,2-3,5H2,1H3
InChI Key:
BAKGFHWCPTWGKC-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CCC(C(C1)O)C
Properties
Complexity:
237
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:
1
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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