(3aS,4S,5R,6aR)-Hexahydro-5-hydroxy-4-(hydroxyMethyl)-2(1H)-pentalenone (CAS 94595-91-2) — formula C9H14O3, molecular weight 170.21; category organic chemicals.
| CAS Number | 94595-91-2 |
|---|---|
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.21 |
| LogP | -0.2 |
| Category | Organic Chemicals |
(3aS,4S,5R,6aR)-Hexahydro-5-hydroxy-4-(hydroxyMethyl)-2(1H)-pentalenone is a carbon-based organic compound with CAS registry number 94595-91-2 and molecular formula C9H14O3 (molecular weight 170.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94595-91-2
Its molecular formula C9H14O3 comprises 9 C, 14 H, 3 O atoms.
Also known as: (3aS,4S,5R,6aR)-Hexahydro-5-hydroxy-4-(hydroxyMethyl)-2(1H)-pentalenone · (3aS,4S,5R,6aR)-六氢-5-羟基-4-(羟基甲基)-2(1H)-戊烯酮
Category: organic chemicals
The CAS registry number of (3aS,4S,5R,6aR)-Hexahydro-5-hydroxy-4-(hydroxyMethyl)-2(1H)-pentalenone is 94595-91-2.
Molecular formula C9H14O3, molecular weight 170.21.
It is also registered under: (3aS,4S,5R,6aR)-Hexahydro-5-hydroxy-4-(hydroxyMethyl)-2(1H)-pentalenone, (3aS,4S,5R,6aR)-六氢-5-羟基-4-(羟基甲基)-2(1H)-戊烯酮.
Category: Organic Chemicals.
Independent reference data for (3aS,4S,5R,6aR)-Hexahydro-5-hydroxy-4-(hydroxyMethyl)-2(1H)-pentalenone (CAS 94595-91-2), compiled from public chemistry databases.
| CAS 号 | 94595-91-2 |
|---|---|
| PubChem CID | 12877553 |
| 分子式 | C9H14O3 |
| IUPAC 名称 | 5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one |
| Molecular Weight | 170.21 |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 170.094294304 |
| Monoisotopic Mass | 170.094294304 |
| Topological Polar Surface Area | 57.5 |
| Heavy Atom Count | 12 |
94595-91-2; 5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one; SCHEMBL9637857; (3aS,4S,5R,6aR)-hexahydro-5-hydroxy-4-(hydroxymethyl)-2(1H)-pentalenone; DB-079967
(3aS,4S,5R,6aR)-六氢-5-羟基-4-(羟基甲基)-2(1H)-戊烯酮 · CAS 94595-91-2 · C9H14O3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.