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72990-40-0 | N-ETHOXY-1-(1-OXIDO(PYRIDIN-4-YL))METHANIMINE
CAS No: 72990-40-0 Catalog No: AG005CYW MDL No:
Product Description
Catalog Number:
AG005CYW
Chemical Name:
N-ETHOXY-1-(1-OXIDO(PYRIDIN-4-YL))METHANIMINE
CAS Number:
72990-40-0
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
N-ethoxy-1-(1-oxidopyridin-1-ium-4-yl)methanimine
InChI:
InChI=1S/C8H10N2O2/c1-2-12-9-7-8-3-5-10(11)6-4-8/h3-7H,2H2,1H3
InChI Key:
XQTZWTZGMXATJJ-UHFFFAOYSA-N
SMILES:
CCON=Cc1cc[n+](cc1)[O-]
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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