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1249237-36-2 | 5-[2-(HYDROXYMETHYL)PIPERIDIN-1-YL]FURAN-2-CARBALDEHYDE
CAS No: 1249237-36-2 Catalog No: AG01C8JE MDL No:MFCD16686039
Product Description
Catalog Number:
AG01C8JE
Chemical Name:
5-[2-(HYDROXYMETHYL)PIPERIDIN-1-YL]FURAN-2-CARBALDEHYDE
CAS Number:
1249237-36-2
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD16686039
IUPAC Name:
5-[2-(hydroxymethyl)piperidin-1-yl]furan-2-carbaldehyde
InChI:
InChI=1S/C11H15NO3/c13-7-9-3-1-2-6-12(9)11-5-4-10(8-14)15-11/h4-5,8-9,13H,1-3,6-7H2
InChI Key:
AITHHHLRFFLFEM-UHFFFAOYSA-N
SMILES:
OCC1CCCCN1c1ccc(o1)C=O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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