Formula |
C12H10O5 |
IUPAC Name |
3-acetyl-7-hydroxy-5-(hydroxymethyl)chromen-2-one |
Molecular Mass |
234.205 g·mol−1 |
Heat of Formation |
-731.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.93 ± 1.08 D |
Volume |
254.89 Å 3 |
Surface Area |
239.75 Å 2 |
HOMO Energy |
-9.64 ± 0.55 eV |
LUMO Energy |
-1.50 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2h-1-benzopyran-2-one, 3-acetyl-7-hydroxy-5-(hydroxymethyl)-
- 3-acetyl-5-hydroxymethyl-7-hydroxycoumarin
- 3-acetyl-7-hydroxy-5-(hydroxymethyl)-2-chromenone
- 3-acetyl-7-hydroxy-5-(hydroxymethyl)-2h-1-benzopyran-2-one
- 3-acetyl-7-hydroxy-5-methylol-coumarin
- 3-ethanoyl-7-hydroxy-5-(hydroxymethyl)chromen-2-one
- armillarisin a
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CAS Number(s) |
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InChIKey |
XVZWWNMZVZWQKU-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
H
C
O
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