Chamazulene Carboxylic Acid
(2S)-2-(3,8-dimethylazulen-5-yl)propanoic acid
Also Known As: Chamazulenecarboxylic acid|Chamazulene carboxylic acid|(2S)-2-(3,8-dimethylazulen-5-yl)propanoic acid|(S)-Chamazulenecarboxylic acid|5-Azuleneacetic acid, alpha,3,8-trimethyl-|2-(3,8-Dimethylazulen-5-yl)propanoic acid|(alphaS)-alpha,3,8-Trimethyl-5-azuleneacetic acid|J1.524.954D|(2S)-2-(3,8-Dimethylazulene-5-yl)propanoic acid|(|(R))-2-(3,8-Dimethyl-azulen-5-yl)-propionsaeure|2-(3,8-Dimethylazulen-5-yl)propanoic acid, (2S)-|(|(R))-2-(3,8-dimethyl-azulen-5-yl)-propionic acid|5-Azuleneacetic acid, alpha,3,8-trimethyl-, (alphaS)-
| Molecular Formula | C15H16O2 |
|---|---|
| Molecular Weight | 228.11504 g/mol |
| LogP | 3.59634 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.11504 |
| Monoisotopic Mass | 228.11504 |
| Heavy Atoms | 17 |
| Complexity | 543.0228 |
Chemical Identifiers
| CAS Number | 489-87-2 |
|---|---|
| SMILES | CC1=C2C=CC(=C2C=C(C=C1)[C@H](C)C(=O)O)C |
Product Overview
Chamazulene Carboxylic Acid (CAS 489-87-2), with molecular formula C15H16O2 and molecular weight 228.11504 g/mol. IUPAC: (2S)-2-(3,8-dimethylazulen-5-yl)propanoic acid.