Formula |
C15H13NO5 |
IUPAC Name |
4-[5-(carboxymethyl)-1-methyl-pyrrole-2-carbonyl]benzoic acid |
Molecular Mass |
287.267 g·mol−1 |
Heat of Formation |
-702.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.13 ± 1.08 D |
Volume |
326.95 Å 3 |
Surface Area |
296.9 Å 2 |
HOMO Energy |
-9.39 ± 0.55 eV |
LUMO Energy |
-1.07 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-methyl-5-(4-carboxybenzoyl)-1h-pyrrole-2-acetic acid
- 4-[5-(carboxymethyl)-1-methyl-pyrrol-2-yl]carbonylbenzoic acid
- 4-[5-(carboxymethyl)-1-methyl-pyrrole-2-carbonyl]benzoic acid
- 4-[5-(carboxymethyl)-1-methylpyrrole-2-carbonyl]benzoic acid
- 4-[[5-(carboxymethyl)-1-methyl-2-pyrrolyl]-oxomethyl]benzoic acid
- 5-(4-carboxybenzoyl)-1-methyl-1h-pyrrole-2-acetic acid
- mecpac
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CAS Number(s) |
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InChIKey |
JARNTMCBHAXPKM-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
H
C
O
N
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