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Home > Pyridines > 1864014-75-4
1864014-75-4 | PIPERIDIN-4-YL(PYRIDIN-4-YL)METHANOL OXALATE
CAS No: 1864014-75-4 Catalog No: AG01AS6Y MDL No:MFCD28166072
Product Description
Catalog Number:
AG01AS6Y
Chemical Name:
PIPERIDIN-4-YL(PYRIDIN-4-YL)METHANOL OXALATE
CAS Number:
1864014-75-4
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
MDL Number:
MFCD28166072
IUPAC Name:
oxalic acid;piperidin-4-yl(pyridin-4-yl)methanol
InChI:
InChI=1S/C11H16N2O.C2H2O4/c14-11(9-1-5-12-6-2-9)10-3-7-13-8-4-10;3-1(4)2(5)6/h1-2,5-6,10-11,13-14H,3-4,7-8H2;(H,3,4)(H,5,6)
InChI Key:
ZYUPVEYZJKVROR-UHFFFAOYSA-N
SMILES:
OC(c1ccncc1)C1CCNCC1.OC(=O)C(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
282.296g/mol
Monoisotopic Mass:
282.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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