Formula |
C11H11NO4 |
IUPAC Name |
2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-2-yl)acetate |
Molecular Mass |
221.209 g·mol−1 |
Heat of Formation |
-524.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.29 ± 1.08 D |
Volume |
263.61 Å 3 |
Surface Area |
243.08 Å 2 |
HOMO Energy |
-7.62 ± 0.55 eV |
LUMO Energy |
-0.29 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-(6,7-dihydroxy-3,4-dihydroisoquinolin-2-ium-2-yl)ethanoate
- 2-carb me-diq
- 2-carboxymethyl-6,7-dihydroxy-3,4-dihydroisoquinolinium
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CAS Number(s) |
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InChIKey |
ARAGDSLBYBYLRH-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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