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261-79-0 | Phenoxazin-5-ium
CAS No: 261-79-0 Catalog No: AG002ROO MDL No:
Product Description
Catalog Number:
AG002ROO
Chemical Name:
Phenoxazin-5-ium
CAS Number:
261-79-0
Molecular Formula:
C12H8NO+
Molecular Weight:
182.1980
IUPAC Name:
10H-phenoxazin-5-ium
InChI:
InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H/p+1
InChI Key:
TZMSYXZUNZXBOL-UHFFFAOYSA-O
SMILES:
c1ccc2c(c1)[o+]c1c(n2)cccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.076g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.218g/mol
Monoisotopic Mass:
184.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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