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Home > Aldehydes > 1598086-01-1
1598086-01-1 | 5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1598086-01-1 Catalog No: AG01C8N4 MDL No:MFCD31443168
Product Description
Catalog Number:
AG01C8N4
Chemical Name:
5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1598086-01-1
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD31443168
IUPAC Name:
5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C11H15NO2S/c1-11(14)5-2-6-12(8-11)10-4-3-9(7-13)15-10/h3-4,7,14H,2,5-6,8H2,1H3
InChI Key:
HDJDICRHCZNAMZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)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:
1.9
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