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Home > Aldehydes > 1597680-06-2
1597680-06-2 | 4-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1597680-06-2 Catalog No: AG01C8R9 MDL No:MFCD31443213
Product Description
Catalog Number:
AG01C8R9
Chemical Name:
4-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1597680-06-2
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD31443213
IUPAC Name:
4-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H15NO2S/c1-11(14)3-2-4-12(8-11)9-5-10(6-13)15-7-9/h5-7,14H,2-4,8H2,1H3
InChI Key:
NITYGQQCDSVIKV-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CCCC(C1)(C)O
Properties
Complexity:
249
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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