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Home > Pyridines > 1864058-90-1
1864058-90-1 | PIPERIDIN-4-YL(PYRIDIN-3-YL)METHANOL OXALATE
CAS No: 1864058-90-1 Catalog No: AG01AS6X MDL No:MFCD28166071
Product Description
Catalog Number:
AG01AS6X
Chemical Name:
PIPERIDIN-4-YL(PYRIDIN-3-YL)METHANOL OXALATE
CAS Number:
1864058-90-1
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
MDL Number:
MFCD28166071
IUPAC Name:
oxalic acid;piperidin-4-yl(pyridin-3-yl)methanol
InChI:
InChI=1S/C11H16N2O.C2H2O4/c14-11(9-3-6-12-7-4-9)10-2-1-5-13-8-10;3-1(4)2(5)6/h1-2,5,8-9,11-12,14H,3-4,6-7H2;(H,3,4)(H,5,6)
InChI Key:
WFASNJKSNKHFIE-UHFFFAOYSA-N
SMILES:
OC(c1cccnc1)C1CCNCC1.OC(=O)C(=O)O
Properties
Complexity:
240
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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