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Home > Aldehydes > 1594061-05-8
1594061-05-8 | 5-(4-hydroxy-3-methylpiperidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1594061-05-8 Catalog No: AG01C8N5 MDL No:MFCD31443169
Product Description
Catalog Number:
AG01C8N5
Chemical Name:
5-(4-hydroxy-3-methylpiperidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1594061-05-8
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD31443169
IUPAC Name:
5-(4-hydroxy-3-methylpiperidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H15NO2S/c1-8-6-12(5-4-10(8)14)11-3-2-9(7-13)15-11/h2-3,7-8,10,14H,4-6H2,1H3
InChI Key:
NFXZTNVCFZPRCK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)N1CCC(C(C1)C)O
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:
2.2
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