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89203-57-6 | 3-Piperidinecarboxylic acid, 1-[4-phenyl-4-(2-thienyl)-3-butenyl]-
CAS No: 89203-57-6 Catalog No: AG00446T MDL No:
Product Description
Catalog Number:
AG00446T
Chemical Name:
3-Piperidinecarboxylic acid, 1-[4-phenyl-4-(2-thienyl)-3-butenyl]-
CAS Number:
89203-57-6
Molecular Formula:
C20H23NO2S
Molecular Weight:
341.4671
IUPAC Name:
1-(4-phenyl-4-thiophen-2-ylbut-3-enyl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C20H23NO2S/c22-20(23)17-9-4-12-21(15-17)13-5-10-18(19-11-6-14-24-19)16-7-2-1-3-8-16/h1-3,6-8,10-11,14,17H,4-5,9,12-13,15H2,(H,22,23)
InChI Key:
ZASZCKQEHQQNHY-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)CCC=C(c1cccs1)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.145g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.469g/mol
Monoisotopic Mass:
341.145g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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