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74415-02-4 | Morpholine,4-(1-oxido-4-pyridinyl)-
CAS No: 74415-02-4 Catalog No: AG005LN5 MDL No:
Product Description
Catalog Number:
AG005LN5
Chemical Name:
Morpholine,4-(1-oxido-4-pyridinyl)-
CAS Number:
74415-02-4
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
4-(1-oxidopyridin-1-ium-4-yl)morpholine
InChI:
InChI=1S/C9H12N2O2/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4H,5-8H2
InChI Key:
PDWAYYILCFDABM-UHFFFAOYSA-N
SMILES:
[O-][n+]1ccc(cc1)N1CCOCC1
NSC Number:
111079
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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