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Home > Aldehydes > 1338947-75-3
1338947-75-3 | 5-[3-(HYDROXYMETHYL)PIPERIDIN-1-YL]THIOPHENE-2-CARBALDEHYDE
CAS No: 1338947-75-3 Catalog No: AG01C8N7 MDL No:MFCD20300238
Product Description
Catalog Number:
AG01C8N7
Chemical Name:
5-[3-(HYDROXYMETHYL)PIPERIDIN-1-YL]THIOPHENE-2-CARBALDEHYDE
CAS Number:
1338947-75-3
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD20300238
IUPAC Name:
5-[3-(hydroxymethyl)piperidin-1-yl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H15NO2S/c13-7-9-2-1-5-12(6-9)11-4-3-10(8-14)15-11/h3-4,8-9,13H,1-2,5-7H2
InChI Key:
PFFXYIPNZQFDOR-UHFFFAOYSA-N
SMILES:
OCC1CCCN(C1)c1ccc(s1)C=O
Properties
Complexity:
225
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:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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