Formula |
C22H19NO8 |
IUPAC Name |
5-[3-[(e)-3-(3-hydroxy-2-methoxycarbonyl-phenoxy)prop-1-enyl]phenyl]-4-(hydroxymethyl)isoxazole-3-carboxylic acid |
Molecular Mass |
425.388 g·mol−1 |
Heat of Formation |
-907.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.75 ± 1.08 D |
Volume |
470.31 Å 3 |
Surface Area |
427.29 Å 2 |
HOMO Energy |
-9.30 ± 0.55 eV |
LUMO Energy |
1.95 ± eV |
Point Group Symmetry |
C1
|
Synonyms
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- 5-(3-{3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid
- 5-[3-[(e)-3-(2-carbomethoxy-3-hydroxy-phenoxy)prop-1-enyl]phenyl]-4-methylol-isoxazole-3-carboxylic acid
- 5-[3-[(e)-3-(3-hydroxy-2-methoxycarbonyl-phenoxy)prop-1-enyl]phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxylic acid
- 5-[3-[(e)-3-(3-hydroxy-2-methoxycarbonyl-phenoxy)prop-1-enyl]phenyl]-4-(hydroxymethyl)isoxazole-3-carboxylic acid
- 5-[3-[(e)-3-(3-hydroxy-2-methoxycarbonylphenoxy)prop-1-enyl]phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxylic acid
- 5-[3-[(e)-3-(3-hydroxy-2-methoxycarbonylphenoxy)prop-1-enyl]phenyl]-4-(hydroxymethyl)-3-isoxazolecarboxylic acid
- ix1
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InChIKey |
DQSRCEFDWMQCCV-GQCTYLIASA-N |
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Elements |
H
C
O
N
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