tetrahydro-2H-pyran...

tetrahydro-2H-pyran-2-methyl acetate 5440-83-5

tetrahydro-2H-pyran-2-methyl acetate 5440-83-5

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1 Gram

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  • Purity: 99%
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Keywords

2H-Pyran-2-methanol, tetrahydro-, acetate 5440-83-5 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

【Name】
tetrahydro-2H-pyran-2-methyl acetate
【Iupac name】
oxan-2-ylmethyl acetate
【CAS Registry number】
5440-83-5
【Synonyms】
2H-Pyran-2-methanol, tetrahydro-, 2-acetate
AI3-21178
NSC 20751
NSC 44985
Tetrahydro-2H-pyran-2-methanol acetate
2H-Pyran-2-methanol, tetrahydro-, acetate
Tetrahydro-2H-pyran-2-methyl acetate
tetrahydro-2H-pyran-2-ylmethyl acetate
【EINECS(EC#)】
226-625-0
【Molecular Formula】
C8H14O3 (Products with the same molecular formula)
【Molecular Weight】
158.195
【Inchi】
InChI=1/C8H14O3/c1-7(9)11-6-8-4-2-3-5-10-8/h8H,2-6H2,1H3
【Canonical SMILES】
CC(=O)OCC1CCCCO1
【MOL File】
5440-83-5.mol
Chemical and Physical Properties
【Density】
1.02g/cm3
【Boiling Point】
217.4°C at 760 mmHg
【Refractive Index】
1.434
【Flash Point】
93.1°C
【Computed Properties】
Molecular Weight:158.19496 [g/mol]
Molecular Formula:C8H14O3
XLogP3-AA:0.9
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:3
Exact Mass:158.094294
MonoIsotopic Mass:158.094294
Topological Polar Surface Area:35.5
Heavy Atom Count:11
Formal Charge:0
Complexity:133
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:2
Feature 3D Ring Count:1
Effective Rotor Count:4.2
Conformer Sampling RMSD:0.6
CID Conformer Count:47

 

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