Phenoxazine - CAS 135-67-1
Catalog:
BB054424
Product Name:
Phenoxazine
CAS:
135-67-1
Synonyms:
Phenoxazine
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BB054424
100 g
$498
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IUPAC Name: 10H-phenoxazine
Molecular Weight: 183.21
Molecular Formula: C12H9NO
Canonical SMILES: C1=CC=C2C(=C1)NC3=CC=CC=C3O2
InChI: InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
InChI Key: TZMSYXZUNZXBOL-UHFFFAOYSA-N
Boiling Point: 318.0±12.0 °C at 760 mmHg
Melting Point: 156-159 °C(lit.)
Density: 1.2±0.1 g/cm3
Complexity: 187
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 183.068413911
Formal Charge: 0
Heavy Atom Count: 14
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 183.068413911
Rotatable Bond Count: 0
Topological Polar Surface Area: 21.3
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.9
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