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159589-70-5 | Benzoic acid, 2-(4-methyl-1-piperazinyl)-
CAS No: 159589-70-5 Catalog No: AG001R76 MDL No:MFCD01788118
Product Description
Catalog Number:
AG001R76
Chemical Name:
Benzoic acid, 2-(4-methyl-1-piperazinyl)-
CAS Number:
159589-70-5
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD01788118
IUPAC Name:
2-(4-methylpiperazin-1-yl)benzoic acid
InChI:
InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16)
InChI Key:
WKGFDTBUUBBWJZ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccccc1C(=O)O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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