Formula |
C15H13NO5 |
IUPAC Name |
(4-hydroxy-3-methoxy-5-nitro-phenyl)-(p-tolyl)methanone |
Molecular Mass |
287.267 g·mol−1 |
Heat of Formation |
-320.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.47 ± 1.08 D |
Volume |
323.93 Å 3 |
Surface Area |
298.48 Å 2 |
HOMO Energy |
-9.69 ± 0.55 eV |
LUMO Energy |
-1.34 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (4-hydroxy-3-methoxy-5-nitro-phenyl)-(4-methylphenyl)methanone
- (4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone
- 3-o-methyltolcapone
- methanone, (4-hydroxy-3-methoxy-5-nitrophenyl)(4-methylphenyl)-
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CAS Number(s) |
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InChIKey |
VCNSNEJUGBEWTA-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
N
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