2,3-Butanedione,1-(...

2,3-Butanedione,1-(4-hydroxyphenyl)-, 2-oxime 5440-26-6

2,3-Butanedione,1-(4-hydroxyphenyl)-, 2-oxime 5440-26-6

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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2,3-Butanedione,1-(4-hydroxyphenyl)-, 2-oxime 5440-26-6 98%

Quick Details

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

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Details:

【Name】
2,3-Butanedione,1-(4-hydroxyphenyl)-, 2-oxime
【Iupac name】
(3E)-3-hydroxyimino-4-(4-hydroxyphenyl)butan-2-one
【CAS Registry number】
5440-26-6
【Synonyms】
2,3-Butanedione,(p-hydroxyphenyl)-, 2-oxime (6CI)
NSC 20137
【Molecular Formula】
C10H11 N O3 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C10H11NO3/c1-7(12)10(11-14)6-8-2-4-9(13)5-3-8/h2-5,13-14H,6H2,1H3/b11-10+
【Canonical SMILES】
CC(=O)C(=NO)CC1=CC=C(C=C1)O
【Isomers smiles】
CC(=O)/C(=N/O)/CC1=CC=C(C=C1)O
【MOL File】
5440-26-6.mol
Chemical and Physical Properties
【Density】
1.2g/cm3
【Boiling Point】
405.2°Cat760mmHg
【Refractive Index】
1.553
【Flash Point】
198.9°C
【Computed Properties】
Molecular Weight:193.19924 [g/mol]
Molecular Formula:C10H11NO3
XLogP3-AA:1.6
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:3
Tautomer Count:28
Exact Mass:193.073893
MonoIsotopic Mass:193.073893
Topological Polar Surface Area:69.9
Heavy Atom Count:14
Formal Charge:0
Complexity:230
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:32

 

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