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Predicted properties of the compound entered.

ID QJZRVRVZRIXGMR-UHFFFAOYSA-N
Formula C15H16O5
IUPAC Name 8-hydroxy-6-methoxy-7-[(3-methylbut-2-en-1-yl)oxy]-2H-chromen-2-one
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C15H16O5/c1-9(2)6-7-19-15-11(18-3)8-10-4-5-12(16)20-14(10)13(15)17/h4-6,8,17H,7H2,1-3H3
Standard InChIKey (User Input) InChIKey=QJZRVRVZRIXGMR-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 8-hydroxy-6-methoxy-7-(3-methylbut-2-enoxy)chromen-2-one | 8-hydroxy-6-methoxy-7-(3-methylbut-2-enoxy)-2-chromenone | 8-hydroxy-6-methoxy-7-(3-methylbut-2-enoxy)coumarin | TimTec1_001811 | Oprea1_056724 | BAS 02998978 | NCGC00017272-01 | TNP00179 | ST024717 | 8-Hydroxy-6-methoxy-7-(3-methyl-but-2-enyloxy)-chromen-2-one | Oprea1_051044 | MLS000029685 | SMR000011727 | ZINC00113310
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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13C NMR prediction -
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