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acetic acid; 5,6-dihydrophenanthridine acetic acid; 5,6-dihydrophenanthridine 5328-29-0
Identification and Related Records
【Name】
acetic acid; 5,6-dihydrophenanthridine
【CAS Registry number】
5328-29-0
【Synonyms】
5,6-dihydrophenanthridine
【Molecular Formula】
C15H15NO2 (Products with the same molecular formula)
【Molecular Weight】
181.23
【Inchi】
InChI=1/C13H11N.C2H4O2/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-2(3)4/h1-8,14H,9H2;1H3,(H,3,4)
【Canonical SMILES】
CC(=O)O.C1C2=CC=CC=C2C3=CC=CC=C3N1
【MOL File】
5328-29-0.mol
Chemical and Physical Properties
【Density】
g/cm3
【Boiling Point】
370.7°Cat760mmHg
【Flash Point】
196.8°C
【Computed Properties】
Molecular Weight:241.2851 [g/mol]
Molecular Formula:C15H15NO2
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:0
Exact Mass:241.110279
MonoIsotopic Mass:241.110279
Topological Polar Surface Area:49.3
Heavy Atom Count:18
Formal Charge:0
Complexity:232
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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