Formula |
C12H21ClO3 |
IUPAC Name |
octyl 4-chloro-3-oxo-butanoate |
Molecular Mass |
248.746 g·mol−1 |
Heat of Formation |
-717.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.67 ± 1.08 D |
Volume |
315.45 Å 3 |
Surface Area |
313.76 Å 2 |
HOMO Energy |
-10.53 ± 0.55 eV |
LUMO Energy |
0.23 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-chloro-3-keto-butyric acid octyl ester
- 4-chloro-3-oxobutanoic acid octyl ester
- 4-oca
- butanoic acid, 4-chloro-3-oxo-, octyl ester
- octyl-4-chloroacetoacetate
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CAS Number(s) |
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InChIKey |
QVBGSRKQOYZMLR-UHFFFAOYSA-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
Cl
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