Compound Summary
Dihydrocaffeic acid
Compound Information
Dihydrocaffeic acid
Compound Name: | Dihydrocaffeic acid |
Compound CID: | 348154 |
Synonyms: | Dihydrocaffeic acid |
Iupac Name: | 3-(3,4-dihydroxyphenyl)propanoic acid |
InChI: | InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13) |
InChIKey: | DZAUWHJDUNRCTF-UHFFFAOYSA-N |
Canonical Smiles: | C1=CC(=C(C=C1CCC(=O)O)O)O |
Isomeric Smiles: | C1=CC(=C(C=C1CCC(=O)O)O)O |
Molecular Weight: | 182.17 |
Molecular Formula: | C9H10O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Dihydrocaffeic acid
Molecular Weight: | 182.17 |
Molecular Formula: | C9H10O4 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 13 |
Complexity: | 181 |
Synonyms
Dihydrocaffeic acid
Experimental Data
Dihydrocaffeic acid
Experimental Data Visualization
Dihydrocaffeic acid
Statistics Data
Dihydrocaffeic acid
Statistics Data Visualization
Dihydrocaffeic acid
