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88203-45-6

88203-45-6 | 3-Piperidinecarboxylic acid, 3-(4-hydroxyphenyl)-1-propyl-, ethyl ester

CAS No: 88203-45-6 Catalog No: AG004DY1 MDL No:

Product Description

Catalog Number:
AG004DY1
Chemical Name:
3-Piperidinecarboxylic acid, 3-(4-hydroxyphenyl)-1-propyl-, ethyl ester
CAS Number:
88203-45-6
Molecular Formula:
C17H25NO3
Molecular Weight:
291.3853
IUPAC Name:
ethyl 3-(4-hydroxyphenyl)-1-propylpiperidine-3-carboxylate
InChI:
InChI=1S/C17H25NO3/c1-3-11-18-12-5-10-17(13-18,16(20)21-4-2)14-6-8-15(19)9-7-14/h6-9,19H,3-5,10-13H2,1-2H3
InChI Key:
BNITZKDLXKFAGW-UHFFFAOYSA-N
SMILES:
CCCN1CCCC(C1)(C(=O)OCC)c1ccc(cc1)O

Properties

Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.183g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.391g/mol
Monoisotopic Mass:
291.183g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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