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14548-01-7 | Phenanthridine, 5-oxide
CAS No: 14548-01-7 Catalog No: AG001D35 MDL No:
Product Description
Catalog Number:
AG001D35
Chemical Name:
Phenanthridine, 5-oxide
CAS Number:
14548-01-7
Molecular Formula:
C13H9NO
Molecular Weight:
195.2167
IUPAC Name:
5-oxidophenanthridin-5-ium
InChI:
InChI=1S/C13H9NO/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChI Key:
BSGIEESBTVXEOH-UHFFFAOYSA-N
SMILES:
[O-][n+]1cc2ccccc2c2c1cccc2
NSC Number:
263827
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.068g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.221g/mol
Monoisotopic Mass:
195.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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