3-(1H,1H-NONAFLUOROPENTYL)-4-METHYLCYCLOPENTANE-1,1-DICARBOXYLIC ACID (CAS 20116-32-9) — formula C13H13F9O4, molecular weight 404.22; category organic chemicals.
| CAS Number | 20116-32-9 |
|---|---|
| Molecular Formula | C13H13F9O4 |
| Molecular Weight | 404.22 |
| LogP | 4.4 |
| Applications | Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category |
| Category | Organic Chemicals |
Documented applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category.
3-(1H,1H-NONAFLUOROPENTYL)-4-METHYLCYCLOPENTANE-1,1-DICARBOXYLIC ACID is a carbon-based organic compound with CAS registry number 20116-32-9 and molecular formula C13H13F9O4 (molecular weight 404.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 20116-32-9
Its molecular formula C13H13F9O4 comprises 13 C, 13 H, 9 F, 4 O atoms.
Also known as: 3-(1H,1H-NONAFLUOROPENTYL)-4-METHYLCYCLOPENTANE-1,1-DICARBOXYLIC ACID · 3-(1H,1H-九氟戊基)-4-甲基环戊烷-1,1-二羧酸
Category: organic chemicals
The CAS registry number of 3-(1H,1H-NONAFLUOROPENTYL)-4-METHYLCYCLOPENTANE-1,1-DICARBOXYLIC ACID is 20116-32-9.
Molecular formula C13H13F9O4, molecular weight 404.22.
It is also registered under: 3-(1H,1H-NONAFLUOROPENTYL)-4-METHYLCYCLOPENTANE-1,1-DICARBOXYLIC ACID, 3-(1H,1H-九氟戊基)-4-甲基环戊烷-1,1-二羧酸.
Recorded applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category.
Category: Organic Chemicals.
Independent reference data for 3-(1H,1H-NONAFLUOROPENTYL)-4-METHYLCYCLOPENTANE-1,1-DICARBOXYLIC ACID (CAS 20116-32-9), compiled from public chemistry databases.
| CAS 号 | 20116-32-9 |
|---|---|
| PubChem CID | 2775842 |
| 分子式 | C13H13F9O4 |
| IUPAC 名称 | 3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)cyclopentane-1,1-dicarboxylic acid |
| UNII（FDA） | C13H13F9O4 |
| Molecular Weight | 404.22 |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 6 |
| Exact Mass | 404.06701235 |
| Monoisotopic Mass | 404.06701235 |
| Topological Polar Surface Area | 74.6 |
| Heavy Atom Count | 26 |
20116-32-9; 3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)cyclopentane-1,1-dicarboxylic Acid; DTXSID50379718; RefChem:280872; DTXCID10330744; 3-(1H,1H-Nonafluoropentyl)-4-methylcyclopentane-1,1-dicarboxylic acid; MFCD01320755; 1,1-Cyclopentanedicarboxylic acid, 3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-; C13H13F9O4; AKOS025294841; NS00110535; 3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)cyclopentane-1,1-dicarboxylicAcid
3-(1H,1H-九氟戊基)-4-甲基环戊烷-1,1-二羧酸 · CAS 20116-32-9 · C13H13F9O4. UNII C13H13F9O4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.