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52363-40-3

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Basic Information
CAS No.: 52363-40-3
Name: methyl 3-(1H-imidazol-4-yl)acrylate
Article Data: 9
Molecular Structure:
Molecular Structure of 52363-40-3 (methyl 3-(1H-imidazol-4-yl)acrylate)
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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    2-Propenoic acid,3-(1H-imidazol-5-yl)-, methyl ester

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Specification

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