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784130-66-1 | 4-(4-Ethylpiperazin-1-yl);benzoic acid
CAS No: 784130-66-1 Catalog No: AG003K3G MDL No:MFCD05864834
Product Description
Catalog Number:
AG003K3G
Chemical Name:
4-(4-Ethylpiperazin-1-yl);benzoic acid
CAS Number:
784130-66-1
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
MDL Number:
MFCD05864834
IUPAC Name:
4-(4-ethylpiperazin-1-yl)benzoic acid
InChI:
InChI=1S/C13H18N2O2/c1-2-14-7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17/h3-6H,2,7-10H2,1H3,(H,16,17)
InChI Key:
UJKUGZAMAKCYKG-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1ccc(cc1)C(=O)O
Properties
Complexity:
254
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:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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