Dimethyl 1,4-Cubanedicarboxylate (CAS 29412-62-2) — formula C12H12O4, molecular weight 220.22.
Dimethyl 1,4-Cubanedicarboxylate is a chemical compound with CAS registry number 29412-62-2 and molecular formula C12H12O4 (molecular weight 220.22).
CAS number: 29412-62-2
Its molecular formula C12H12O4 comprises 12 C, 12 H, 4 O atoms.
Also known as: Dimethyl 1,4-Cubanedicarboxylate · dimethyl cubane-1,4-dicarboxylate
The CAS registry number of Dimethyl 1,4-Cubanedicarboxylate is 29412-62-2.
Molecular formula C12H12O4, molecular weight 220.22.
It is also registered under: Dimethyl 1,4-Cubanedicarboxylate, dimethyl cubane-1,4-dicarboxylate.
Public-database records for Dimethyl 1,4-Cubanedicarboxylate (CAS 29412-62-2), reproduced here for independent cross-checking.
| GHS notification summary | 33.3% (1 / 3) |
|---|---|
| Reported hazard statements | H315 (66.7%), H319 (66.7%), H335 (66.7%) |
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
| GHS notification summary | 33.3% (1 / 3) |
|---|
| CAS Registry Number | 29412-62-2 |
|---|---|
| PubChem CID | 141480 |
| 分子式 | C12H12O4 |
| IUPAC 名称 | dimethyl cubane-1,4-dicarboxylate |
| UNII（FDA） | ST50319479 |
29412-62-2; Cubane-1,4-dicarboylic acid dimethyl ester; DTXSID50183630; RefChem:1082319; DTXCID90106121; Dimethyl 1,4-cubanedicarboxylate; dimethyl cubane-1,4-dicarboxylate; 1,4-Bis(methoxycarbonyl)cubane; 1,8-DIMETHYL CUBANE-1,8-DICARBOXYLATE; MFCD29060101; Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarboxylic acid, 1,4-dimethyl ester; NSC124104; CS-W001051; NSC-124104; D-4690; dimethylcubane-1,4-dicarboxylate
| 分子量 | 220.22 |
|---|---|
| XLogP3 | 0 |
| 氢键供体数 | 0 |
| 氢键受体数 | 4 |
| 可旋转键数 | 4 |
| 精确质量 | 220.07355886 |
| 单同位素质量 | 220.07355886 |
| 拓扑极性表面积 | 52.6 |
| 重原子数 | 16 |
| 形式电荷 | 0 |
Dimethyl 1,4-Cubanedicarboxylate · CAS 29412-62-2 · C12H12O4. UNII ST50319479.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.