Product Number: 104983
CAS Registry Number: 104-98-3
Name:
2-Propenoic acid, 3-(1H-imidazol-5-yl)-
2-Propenoic acid, 3-(1H-imidazol-4-yl)- (9CI); Imidazole-4-acrylic acid (8CI); 3-(1H-Imidazol-4-yl)-2-propenoic acid; 3-(1H-Imidazol-4-yl)acrylic acid; 3-(4-Imidazolyl)acrylic acid; 4-Imidazolylacrylic acid; 5-Imidazoleacrylic acid; NSC 66357; Urocanic acid; Urocaninic acid
Chemical Formula: C6H6N2O2
Exact Mass: 138.04
Molecular Weight: 138.12
m/z: 138.04 (100.0%), 139.05 (6.6%)
InChI: InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
InChIKey: LOIYMIARKYCTBW-OWOJBTEDSA-N
Canonical SMILES : C1=C(NC=N1)C=CC(=O)O
Isomeric SMILES: C1=C(NC=N1)/C=C/C(=O)O
| Thermal Properties |
Value |
Condition |
Note |
| Melting Point |
243-245 °C |
|
(7)CAS |
| Melting Point |
231 °C |
|
(8)CAS |
| Melting Point |
230-231 °C (decomp) |
|
(9)CAS |
| Melting Point |
225 °C |
|
(10)SRC |
| Melting Point |
224-226 °C |
|
(11)CAS |
|
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