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23512-55-2 | 3-Penten-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (3E)-
CAS No: 23512-55-2 Catalog No: AG002NIC MDL No:
Product Description
Catalog Number:
AG002NIC
Chemical Name:
3-Penten-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (3E)-
CAS Number:
23512-55-2
Molecular Formula:
C17H21NO3
Molecular Weight:
287.3535
IUPAC Name:
5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-3-en-1-one
InChI:
InChI=1S/C17H21NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,8-9,12H,1,4-7,10-11,13H2
InChI Key:
MJBOPSKIWRUIBB-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)C/C=C/Cc1ccc2c(c1)OCO2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.152g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.359g/mol
Monoisotopic Mass:
287.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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