Formula |
C11H14O4 |
IUPAC Name |
(1s,5r,6s)-5-hydroxy-3-[(1r)-1-hydroxy-3-methyl-but-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-one |
Molecular Mass |
210.226 g·mol−1 |
Heat of Formation |
-498.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.95 ± 1.08 D |
Volume |
250.23 Å 3 |
Surface Area |
233.47 Å 2 |
HOMO Energy |
-9.81 ± 0.55 eV |
LUMO Energy |
-0.73 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (1s,2r,6s)-2-hydroxy-4-[(1r)-1-hydroxy-3-methyl-but-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one
- (1s,2r,6s)-2-hydroxy-4-[(1r)-1-hydroxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one
- smp2_000008
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InChIKey |
MBXKEYXHJAZKBP-DEKFOEGESA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
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