3-nitronaphthalene-...

3-nitronaphthalene-1,2-diol 52421-77-9

3-nitronaphthalene-1,2-diol 52421-77-9

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3-nitronaphthalene-1,2-diol 52421-77-9 98%

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

Identification and Related Records
【Name】
3-nitronaphthalene-1,2-diol
【Iupac name】
3-nitronaphthalene-1,2-diol
【CAS Registry number】
52421-77-9
【Synonyms】
MLS003106369
NSC152010
AC1N2ES4
3-nitronaphthalene-1,2-diol
NSC-152010
SMR001821275
52421-77-9
【Molecular Formula】
C10H7NO4 (Products with the same molecular formula)
【Molecular Weight】
205.1669
【Inchi】
InChI=1/C10H7NO4/c12-9-7-4-2-1-3-6(7)5-8(10(9)13)11(14)15/h1-5,12-13H
【Canonical SMILES】
C1=CC=C2C(=C1)C=C(C(=C2O)O)[N+](=O)[O-]
【MOL File】
52421-77-9.mol
Chemical and Physical Properties
【Density】
1.551g/cm3
【Boiling Point】
382.7°C at 760 mmHg
【Refractive Index】
1.759
【Flash Point】
170.8°C
【Computed Properties】
Molecular Weight:205.16688 [g/mol]
Molecular Formula:C10H7NO4
XLogP3-AA:2.8
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:0
Tautomer Count:29
Exact Mass:205.037508
MonoIsotopic Mass:205.037508
Topological Polar Surface Area:86.3
Heavy Atom Count:15
Formal Charge:0
Complexity:252
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
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

 

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