7699-35-6
Product Name:
(E)-3-(3H-imidazol-4-yl)prop-2-enoic acid
Formula:
C6H6N2O2
Synonyms:
cis-3-(1H-imidazol-4-yl)-2-propenoic acid;cis-UCA
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COMPUTED DESCRIPTORS
| Molecular Weight | 138.12 g/mol |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 138.042927438 g/mol |
| Monoisotopic Mass | 138.042927438 g/mol |
| Topological Polar Surface Area | 66 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 156 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cis-urocanic acid is a urocanic acid in which the double bond of the carboxyethene moiety has Z configuration. It is a conjugate acid of a cis-urocanate.