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Home > Pyridines > 1864057-84-0
1864057-84-0 | AZETIDIN-3-YL(PYRIDIN-3-YL)METHANOL OXALATE
CAS No: 1864057-84-0 Catalog No: AG01AS71 MDL No:MFCD28166075
Product Description
Catalog Number:
AG01AS71
Chemical Name:
AZETIDIN-3-YL(PYRIDIN-3-YL)METHANOL OXALATE
CAS Number:
1864057-84-0
Molecular Formula:
C11H14N2O5
Molecular Weight:
254.2393
MDL Number:
MFCD28166075
IUPAC Name:
azetidin-3-yl(pyridin-3-yl)methanol;oxalic acid
InChI:
InChI=1S/C9H12N2O.C2H2O4/c12-9(8-5-11-6-8)7-2-1-3-10-4-7;3-1(4)2(5)6/h1-4,8-9,11-12H,5-6H2;(H,3,4)(H,5,6)
InChI Key:
TUMQVPFYYIHFFI-UHFFFAOYSA-N
SMILES:
OC(c1cccnc1)C1CNC1.OC(=O)C(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
254.242g/mol
Monoisotopic Mass:
254.09g/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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