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1858635-56-9 | 2-(3-hydroxyazetidin-1-yl)pyrimidine-5-carbaldehyde
CAS No: 1858635-56-9 Catalog No: AG01C8TG MDL No:MFCD31443258
Product Description
Catalog Number:
AG01C8TG
Chemical Name:
2-(3-hydroxyazetidin-1-yl)pyrimidine-5-carbaldehyde
CAS Number:
1858635-56-9
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
MDL Number:
MFCD31443258
IUPAC Name:
2-(3-hydroxyazetidin-1-yl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C8H9N3O2/c12-5-6-1-9-8(10-2-6)11-3-7(13)4-11/h1-2,5,7,13H,3-4H2
InChI Key:
BGIKBURSSQDQBF-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)N1CC(C1)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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