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1864052-78-7

1864052-78-7 | PIPERIDIN-4-YL(PYRIDIN-2-YL)METHANOL OXALATE

CAS No: 1864052-78-7 Catalog No: AG01AS6Z MDL No:MFCD28166073

Product Description

Catalog Number:
AG01AS6Z
Chemical Name:
PIPERIDIN-4-YL(PYRIDIN-2-YL)METHANOL OXALATE
CAS Number:
1864052-78-7
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
MDL Number:
MFCD28166073
IUPAC Name:
oxalic acid;piperidin-4-yl(pyridin-2-yl)methanol
InChI:
InChI=1S/C11H16N2O.C2H2O4/c14-11(9-4-7-12-8-5-9)10-3-1-2-6-13-10;3-1(4)2(5)6/h1-3,6,9,11-12,14H,4-5,7-8H2;(H,3,4)(H,5,6)
InChI Key:
XGNLMOQSRZSYTF-UHFFFAOYSA-N
SMILES:
OC(c1ccccn1)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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