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180417-98-5 | Benzoic acid, 2-(1-piperazinyl)-, ethyl ester
CAS No: 180417-98-5 Catalog No: AG0021ZE MDL No:
Product Description
Catalog Number:
AG0021ZE
Chemical Name:
Benzoic acid, 2-(1-piperazinyl)-, ethyl ester
CAS Number:
180417-98-5
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
IUPAC Name:
ethyl 2-piperazin-1-ylbenzoate
InChI:
InChI=1S/C13H18N2O2/c1-2-17-13(16)11-5-3-4-6-12(11)15-9-7-14-8-10-15/h3-6,14H,2,7-10H2,1H3
InChI Key:
GGJCDMYDZDZXHH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1N1CCNCC1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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