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69699-10-1 | Piperidine, 1-((2E,4Z)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-
CAS No: 69699-10-1 Catalog No: AG005IVU MDL No:
Product Description
Catalog Number:
AG005IVU
Chemical Name:
Piperidine, 1-((2E,4Z)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-
CAS Number:
69699-10-1
Molecular Formula:
C18H21NO4
Molecular Weight:
315.3636
IUPAC Name:
5-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
InChI:
InChI=1S/C18H21NO4/c1-21-15-12-17-16(22-13-23-17)11-14(15)7-3-4-8-18(20)19-9-5-2-6-10-19/h3-4,7-8,11-12H,2,5-6,9-10,13H2,1H3
InChI Key:
NCSVIEQJHMEYFR-UHFFFAOYSA-N
SMILES:
COc1cc2OCOc2cc1/C=C\C=C\C(=O)N1CCCCC1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.369g/mol
Monoisotopic Mass:
315.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.1
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