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Predicted properties of the compound entered.

ID ABJKIHHNDMEBNA-UHFFFAOYSA-N
Formula C10H8O2
IUPAC Name 3-methyl-4H-chromen-4-one
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C10H8O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-6H,1H3
Standard InChIKey (User Input) InChIKey=ABJKIHHNDMEBNA-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers 3-methylchromen-4-one | 3-methyl-4-chromenone | 3-Methylchromone | 85-90-5 | 4H-1-Benzopyran-4-one, 3-methyl- | Carbanilide, 3-(2-imidazolin-2-yl)-4'-[3-(p-2-imidazolin-2-ylphenyl)ureido]-, dihydrochloride | Chromone, 3-methyl- | Crodimyl | Cromonalgina | Diacromone | Methylchromone | NSC76095 | Spasmocromona | Tricromyl | Urea, N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N'-4-[[[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]amino]carbonyl]amino]phenyl]-, dihydrochloride | 3-Methyl-4H-1-benzopyran-4-one | 3-Methyl-gamma-benzopyrone | 3-Metil-cromone [Italian] | 5-17-10-00164 (Beilstein Handbook Reference) | BRN 0117920 | Carbanilide, 3-(2-imidazolin-2-yl)-4'-(3-(p-2-imidazolin-2-ylphenyl)ureido)-, dihydrochloride (8CI) | Chromone, 3-methyl- (8CI) | EINECS 201-641-0 | Methylchromone [BAN:INN] | Methylchromonum [INN-Latin] | Metilcromona [INN-Spanish] | Metilcromone [DCIT] | NSC 76095 | Urea, N-(3-(4,5-dihydro-1H-imidazol-2-yl)phenyl)-N'-4-(((((4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)amino)carbonyl)amino)phenyl)-, dihydrochloride (9CI) | KBio2_004257 | KBio2_001689 | Spectrum5_001726 | KBio2_006825 | KBio1_001785 | ST5440902 | ZINC00001707 | KBioSS_001689 | DivK1c_006841 | Spectrum_001209 | SpecPlus_000745 | 3-Methyl-.gamma.-benzopyrone | 3-Methyl-4(4H)-chromenone | 3-Methyl-4(H)-chromen-4-one
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
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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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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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