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Benzoicacid, 2-acetyl-4-arsonoyl-, 1-methyl ester 5430-39-7 98%
Name】
Benzoicacid, 2-acetyl-4-arsonoyl-, 1-methyl ester
【CAS Registry number】
5430-39-7
【Synonyms】
Benzoicacid, 2-acetyl-4-arsono-, 1-methyl ester (9CI)
NSC 13786
【Molecular Formula】
C10H11 As O6 (Products with the same molecular formula)
【Molecular Weight】
302.1123
【Inchi】
InChI=1/C10H11AsO6/c1-6(12)9-5-7(11(14,15)16)3-4-8(9)10(13)17-2/h3-5H,1-2H3,(H2,14,15,16)
【Canonical SMILES】
CC(=O)C1=C(C=CC(=C1)[As](=O)(O)O)C(=O)OC
Chemical and Physical Properties
【Boiling Point】
572.7°C at 760 mmHg
【Flash Point】
225.3°C
【Computed Properties】
Molecular Weight:302.11234 [g/mol]
Molecular Formula:C10H11AsO6
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:301.977159
MonoIsotopic Mass:301.977159
Topological Polar Surface Area:101
Heavy Atom Count:17
Formal Charge:0
Complexity:360
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:1
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