Formula |
C8H7NO4 |
IUPAC Name |
4-methyl-3-nitro-benzoic acid |
Molecular Mass |
181.145 g·mol−1 |
Heat of Formation |
-329.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.52 ± 1.08 D |
Volume |
196.86 Å 3 |
Surface Area |
193.18 Å 2 |
HOMO Energy |
-10.70 ± 0.55 eV |
LUMO Energy |
1.46 ± eV |
Point Group Symmetry |
Cs
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Synonyms
|
- 3-nitro-4-methylbenzoic acid
- 3-nitro-p-toluic acid
- 3-nitro-para-toluic acid
- benzoic acid, 4-methyl-3-nitro-
- oprea1_315455
- p-toluic acid, 3-nitro-
- p-toluic acid, 3-nitro- (8ci)
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CAS Number(s) |
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InChIKey |
BBEWSMNRCUXQRF-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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