2-methyl-4-nitro-2,...

2-methyl-4-nitro-2,3-dihydroinden-1-one 51927-25-4

2-methyl-4-nitro-2,3-dihydroinden-1-one 51927-25-4

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Keywords

1H-Inden-1-one,2,3-dihydro-2-methyl-4-nitro- 2-methyl-4-nitro-2,3-dihydroinden-1-one 51927-25-4

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  • Appearance:Liquid
  • Application:Organic Chemicals
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  • ProductionCapacity:10|Kilogram|Month
  • Storage:room temperature
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Details:

Identification and Related Records
【Name】
1H-Inden-1-one,2,3-dihydro-2-methyl-4-nitro-
【Iupac name】
2-methyl-4-nitro-2,3-dihydroinden-1-one
【CAS Registry number】
51927-25-4
【Synonyms】
2-Methyl-4-nitro-1-indanone
2-Methyl-4-nitroindanone
NSC 225096
【Molecular Formula】
C10H9 N O3 (Products with the same molecular formula)
【Molecular Weight】
191.1834
【Inchi】
InChI=1/C10H9NO3/c1-6-5-8-7(10(6)12)3-2-4-9(8)11(13)14/h2-4,6H,5H2,1H3
【Canonical SMILES】
CC1CC2=C(C1=O)C=CC=C2[N+](=O)[O-]
Chemical and Physical Properties
【Density】
1.301g/cm3
【Boiling Point】
331.6°Cat760mmHg
【Refractive Index】
1.593
【Flash Point】
162.5°C
【Computed Properties】
Molecular Weight:191.18336 [g/mol]
Molecular Formula:C10H9NO3
XLogP3-AA:2.1
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:191.058243
MonoIsotopic Mass:191.058243
Topological Polar Surface Area:62.9
Heavy Atom Count:14
Formal Charge:0
Complexity:271
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1.4
Conformer Sampling RMSD:0.6
CID Conformer Count:1

 

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