(E)-2-Cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide - CAS 1234615-86-1
Catalog: |
BB056815 |
Product Name: |
(E)-2-Cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide |
CAS: |
1234615-86-1 |
Synonyms: |
7- Methyl-7H- Pyrrolo[2, 3- d] pyrimidine- 6- carboxylic Acid |
IUPAC Name: | 7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid |
Description: | (E)-2-Cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C8H7N3O2 |
Canonical SMILES: | CN1C(=CC2=CN=CN=C21)C(=O)O |
InChI: | InChI=1S/C8H7N3O2/c1-11-6(8(12)13)2-5-3-9-4-10-7(5)11/h2-4H,1H3,(H,12,13) |
InChI Key: | GXCQEXDWMSJOIJ-UHFFFAOYSA-N |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.053826475 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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