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113900-13-3 | 3-Piperidinecarboxylic acid, 1-[4-(2-methoxyphenyl)-4-phenyl-3-buten-1-yl]-
CAS No: 113900-13-3 Catalog No: AG000A0R MDL No:
Product Description
Catalog Number:
AG000A0R
Chemical Name:
3-Piperidinecarboxylic acid, 1-[4-(2-methoxyphenyl)-4-phenyl-3-buten-1-yl]-
CAS Number:
113900-13-3
Molecular Formula:
C23H27NO3
Molecular Weight:
365.4654
IUPAC Name:
1-[4-(2-methoxyphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C23H27NO3/c1-27-22-14-6-5-12-21(22)20(18-9-3-2-4-10-18)13-8-16-24-15-7-11-19(17-24)23(25)26/h2-6,9-10,12-14,19H,7-8,11,15-17H2,1H3,(H,25,26)
InChI Key:
NLECWSNYHFBKLL-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=CCCN1CCCC(C1)C(=O)O)c1ccccc1
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.199g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.473g/mol
Monoisotopic Mass:
365.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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