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89203-56-5 | 3-Piperidinecarboxylic acid, 1-(4,4-diphenyl-3-butenyl)-4-hydroxy-
CAS No: 89203-56-5 Catalog No: AG00446U MDL No:
Product Description
Catalog Number:
AG00446U
Chemical Name:
3-Piperidinecarboxylic acid, 1-(4,4-diphenyl-3-butenyl)-4-hydroxy-
CAS Number:
89203-56-5
Molecular Formula:
C22H25NO3
Molecular Weight:
351.4388
IUPAC Name:
1-(4,4-diphenylbut-3-enyl)-4-hydroxypiperidine-3-carboxylic acid
InChI:
InChI=1S/C22H25NO3/c24-21-13-15-23(16-20(21)22(25)26)14-7-12-19(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,20-21,24H,7,13-16H2,(H,25,26)
InChI Key:
HNWMKJPGUCBWRA-UHFFFAOYSA-N
SMILES:
OC1CCN(CC1C(=O)O)CCC=C(c1ccccc1)c1ccccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.183g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
351.446g/mol
Monoisotopic Mass:
351.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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