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2-Phenanthrenesulfonicacid, barium salt (2:1) 5329-88-4 C14H10 O3 S . 1/2 Ba
Identification and Related Records
【Name】
2-Phenanthrenesulfonicacid, barium salt (2:1)
【CAS Registry number】
5329-88-4
【Synonyms】
2-Phenanthrenesulfonicacid, Ba salt (6CI)
【Molecular Formula】
C14H10 O3 S . 1/2 Ba (Products with the same molecular formula)
【Molecular Weight】
258.2924
【Inchi】
InChI=1/C14H10O3S/c15-18(16,17)12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H,(H,15,16,17)
【Canonical SMILES】
CC(=O)N[N+](C)(C)C.[Cl-]
Chemical and Physical Properties
【Density】
1.431g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.732
【Flash Point】
°C
【Computed Properties】
Molecular Weight:152.62252 [g/mol]
Molecular Formula:C5H13ClN2O
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:152.071641
MonoIsotopic Mass:152.071641
Topological Polar Surface Area:29.1
Heavy Atom Count:9
Formal Charge:0
Complexity:93.1
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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