Formula |
C13H12N2O2 |
IUPAC Name |
(e)-3-[4-(4h-imidazol-3-ium-4-ylium-3-ylmethyl)phenyl]prop-2-enoic acid |
Molecular Mass |
228.247 g·mol−1 |
Heat of Formation |
-71.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.32 ± 1.08 D |
Volume |
279.78 Å 3 |
Surface Area |
264.9 Å 2 |
HOMO Energy |
-9.49 ± 0.55 eV |
LUMO Energy |
-1.13 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (e)-3-[4-(1-imidazolylmethyl)phenyl]prop-2-enoic acid
- (e)-3-[4-(imidazol-1-ylmethyl)phenyl]acrylic acid
- (e)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
- (e)-p-(imidazol-1-ylmethyl)cinnamic acid
- 2-propenoic acid, 3-(4-(1h-imidazol-1-ylmethyl)phenyl)-, (e)-
- 3-[4-(1-imidazolylmethyl)phenyl]prop-2-enoic acid
- 3-[4-(imidazol-1-ylmethyl)phenyl]acrylic acid
- 3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
- bpbio1_001119
- ozagrel (e)
- ozagrelum [latin]
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CAS Number(s) |
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InChIKey |
SHZKQBHERIJWAO-AATRIKPKSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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