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132521-70-1 | 3-Pyridinecarboxylic acid, 6-(4-methyl-1-piperazinyl)-
CAS No: 132521-70-1 Catalog No: AG0010RT MDL No:MFCD07376841
Product Description
Catalog Number:
AG0010RT
Chemical Name:
3-Pyridinecarboxylic acid, 6-(4-methyl-1-piperazinyl)-
CAS Number:
132521-70-1
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
MDL Number:
MFCD07376841
IUPAC Name:
6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C11H15N3O2/c1-13-4-6-14(7-5-13)10-3-2-9(8-12-10)11(15)16/h2-3,8H,4-7H2,1H3,(H,15,16)
InChI Key:
QHMVJHRGUIQPPU-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(cn1)C(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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