(E)-2-Cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide - CAS 134604-46-9
Catalog: |
BB070206 |
Product Name: |
(E)-2-Cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide |
CAS: |
134604-46-9 |
Synonyms: |
7- Methyl-7H- Pyrrolo[2, 3- d] pyrimidine- 6- carboxylic Acid |
IUPAC Name: | (Z)-2-cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide |
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: | C1=C(C=C(C(=C1O)O)O)C=C(C#N)C(=O)N |
InChI: | InChI=1S/C10H8N2O4/c11-4-6(10(12)16)1-5-2-7(13)9(15)8(14)3-5/h1-3,13-15H,(H2,12,16)/b6-1- |
InChI Key: | IZDSLPGXLRWXIF-BHQIHCQQSA-N |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 220.04840674 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.04840674 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 128Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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