4-hydroxy-3-(2-hydr...

4-hydroxy-3-(2-hydroxy-2-methylpropyl)naphthalene-1,2-dione 52436-89-2

4-hydroxy-3-(2-hydroxy-2-methylpropyl)naphthalene-1,2-dione 52436-89-2

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1 Gram

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  • Min.Order :1 Gram
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Keywords

4-hydroxy-3-(2-hydroxy-2-methyl-propyl)naphthalene-1,2-dione 4-hydroxy-3-(2-hydroxy-2-methylpropyl)naphthalene-1,2-dione 52436-89-2

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  • Appearance:Liquid
  • Application:Organic Chemicals
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  • ProductionCapacity:10|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
4-hydroxy-3-(2-hydroxy-2-methylpropyl)naphthalene-1,2-dione
【Iupac name】
4-hydroxy-3-(2-hydroxy-2-methylpropyl)naphthalene-1,2-dione
【CAS Registry number】
52436-89-2
【Synonyms】
4-hydroxy-3-(2-hydroxy-2-methylpropyl)naphthalene-1,2-dione
52436-89-2
NSC102530
AC1Q6HWU
AC1L6EY2
AR-1G2641
NSC-102530
【Molecular Formula】
C14H14O4 (Products with the same molecular formula)
【Molecular Weight】
246.2586
【Inchi】
InChI=1/C14H14O4/c1-14(2,18)7-10-11(15)8-5-3-4-6-9(8)12(16)13(10)17/h3-6,15,18H,7H2,1-2H3
【Canonical SMILES】
CC(C)(CC1=C(C2=CC=CC=C2C(=O)C1=O)O)O
【MOL File】
52436-89-2.mol
Chemical and Physical Properties
【Density】
1.34g/cm3
【Boiling Point】
429.2°C at 760 mmHg
【Refractive Index】
1.62
【Flash Point】
227.5°C
【Computed Properties】
Molecular Weight:246.25856 [g/mol]
Molecular Formula:C14H14O4
XLogP3-AA:1.1
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:2
Tautomer Count:22
Exact Mass:246.089209
MonoIsotopic Mass:246.089209
Topological Polar Surface Area:74.6
Heavy Atom Count:18
Formal Charge:0
Complexity:420
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:3
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:7

 

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