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89203-58-7 | 3-Piperidinecarboxylic acid, 1-[4-(3-methylphenyl)-4-phenyl-3-butenyl]-
CAS No: 89203-58-7 Catalog No: AG0045NU MDL No:
Product Description
Catalog Number:
AG0045NU
Chemical Name:
3-Piperidinecarboxylic acid, 1-[4-(3-methylphenyl)-4-phenyl-3-butenyl]-
CAS Number:
89203-58-7
Molecular Formula:
C23H27NO2
Molecular Weight:
349.4660
IUPAC Name:
1-[4-(3-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C23H27NO2/c1-18-8-5-11-20(16-18)22(19-9-3-2-4-10-19)13-7-15-24-14-6-12-21(17-24)23(25)26/h2-5,8-11,13,16,21H,6-7,12,14-15,17H2,1H3,(H,25,26)
InChI Key:
VGQXGJBVQVGGBP-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=CCCN1CCCC(C1)C(=O)O)c1ccccc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.204g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.474g/mol
Monoisotopic Mass:
349.204g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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