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CAS No.: | 52363-40-3 |
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Name: | methyl 3-(1H-imidazol-4-yl)acrylate |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H8N2O2 |
Molecular Weight: | 152.153 |
Synonyms: | 2-Propenoicacid, 3-(1H-imidazol-4-yl)-, methyl ester (9CI);Imidazole-4(or 5)-acrylicacid, methyl ester (7CI);Methyl 3-(1H-imidazol-4-yl)acrylate;Methylurocanate;Urocanic acid methyl ester; |
EINECS: | 257-872-2 |
Density: | 1.247 g/cm3 |
Melting Point: | 91-92 °C |
Boiling Point: | 373.4 °C at 760 mmHg |
Flash Point: | 179.7 °C |
Appearance: | White solid |
PSA: | 54.98000 |
LogP: | 0.59590 |
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The 2-Propenoic acid,3-(1H-imidazol-5-yl)-, methyl ester with CAS registry number of 52363-40-3 is also known as Methyl 3-(1H-imidazol-4-yl)acrylate. The IUPAC name is Methyl 3-(1H-imidazol-5-yl)prop-2-enoate. It belongs to product categories of Miscellaneous Reagents. Its EINECS registry number is 257-872-2. In addition, the formula is C7H8N2O2 and the molecular weight is 152.15. What's more, this chemical is a white solid.
Physical properties about 2-Propenoic acid,3-(1H-imidazol-5-yl)-, methyl ester are: (1)XLogP3-AA 0.4; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 3; (5)Tautomer Count: 4; (6)Exact Mass: 152.058578; (7)MonoIsotopic Mass: 152.058578; (8)Topological Polar Surface Area: 55; (9)Heavy Atom Count: 11; (10)Complexity: 168; (11)Undefined Bond StereoCenter Count: 1; (12)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC(=O)C=CC1=CN=CN1
2. InChI: InChI=1S/C7H8N2O2/c1-11-7(10)3-2-6-4-8-5-9-6/h2-5H,1H3,(H,8,9)
3. InChIKey: ZXKOENSQFURTSZ-UHFFFAOYSA-N