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101038-65-7 | Benzoic acid, 4-(1-piperidinyl)-, ethyl ester
CAS No: 101038-65-7 Catalog No: AG0003L2 MDL No:MFCD09473342
Product Description
Catalog Number:
AG0003L2
Chemical Name:
Benzoic acid, 4-(1-piperidinyl)-, ethyl ester
CAS Number:
101038-65-7
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
MDL Number:
MFCD09473342
IUPAC Name:
ethyl 4-piperidin-1-ylbenzoate
InChI:
InChI=1S/C14H19NO2/c1-2-17-14(16)12-6-8-13(9-7-12)15-10-4-3-5-11-15/h6-9H,2-5,10-11H2,1H3
InChI Key:
FBLWXQXFSIWABA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N1CCCCC1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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