Formula |
C5H6N2O4 |
IUPAC Name |
(2s)-2-azaniumyl-2-(3-oxoisoxazol-5-yl)acetate |
Molecular Mass |
158.112 g·mol−1 |
Heat of Formation |
-449.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.87 ± 1.08 D |
Volume |
168.31 Å 3 |
Surface Area |
171.63 Å 2 |
HOMO Energy |
-10.01 ± 0.55 eV |
LUMO Energy |
2.29 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-amino-2-(3-ketoisoxazol-5-yl)acetic acid
- (2s)-2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid
- (2s)-2-amino-2-(3-oxo-1,2-oxazol-5-yl)ethanoic acid
- (2s)-2-amino-2-(3-oxo-5-isoxazolyl)acetic acid
- (2s)-2-amino-2-(3-oxoisoxazol-5-yl)acetic acid
- tocris-0285
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InChIKey |
IRJCBFDCFXCWGO-BYPYZUCNSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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