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122427-16-1 | Piperidinol, 1-[3-(1,3-benzodioxol-5-yl)-1-oxo-2-propenyl]- (9CI)
CAS No: 122427-16-1 Catalog No: AG001787 MDL No:
Product Description
Catalog Number:
AG001787
Chemical Name:
Piperidinol, 1-[3-(1,3-benzodioxol-5-yl)-1-oxo-2-propenyl]- (9CI)
CAS Number:
122427-16-1
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
2-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]-1-hydroxypiperidine
InChI:
InChI=1S/C15H19NO3/c17-16-9-2-1-5-13(16)6-3-4-12-7-8-14-15(10-12)19-11-18-14/h3-4,7-8,10,13,17H,1-2,5-6,9,11H2
InChI Key:
CDDBPMZDDVHXFN-UHFFFAOYSA-N
SMILES:
ON1CCCCC1CC=Cc1ccc2c(c1)OCO2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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