2,5-DIMETHYLHEXANEDIOIC ACID (CAS 4454-18-6) — formula C8H14O4, molecular weight 174.19; category organic chemicals.
2,5-DIMETHYLHEXANEDIOIC ACID is a carbon-based organic compound with CAS registry number 4454-18-6 and molecular formula C8H14O4 (molecular weight 174.19), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4454-18-6
Its molecular formula C8H14O4 comprises 8 C, 14 H, 4 O atoms.
Also known as: 2,5-DIMETHYLHEXANEDIOIC ACID · 2,5-二甲基己二酸
Category: organic chemicals
The CAS registry number of 2,5-DIMETHYLHEXANEDIOIC ACID is 4454-18-6.
Molecular formula C8H14O4, molecular weight 174.19.
It is also registered under: 2,5-DIMETHYLHEXANEDIOIC ACID, 2,5-二甲基己二酸.
Category: Organic Chemicals.
Public-database records for 2,5-DIMETHYLHEXANEDIOIC ACID (CAS 4454-18-6), reproduced here for independent cross-checking.
| CAS 号 | 4454-18-6 |
|---|---|
| PubChem CID | 221391 |
| 分子式 | C8H14O4 |
| IUPAC 名称 | 2,5-dimethylhexanedioic acid |
2,5-Dimethylhexanedioic acid; 4454-18-6; DTXSID10963238; RefChem:1060120; DTXCID901391003; Hexanedioic acid, 2,5-dimethyl-; NSC 5947; NSC5947; NSC89725; 2,5-Dimethyl-adipinsaure; MFCD00020410; NSC 89725; SCHEMBL5139179; NSC-5947; NSC-89725; AKOS006273474
| 分子量 | 174.19 |
|---|---|
| XLogP3 | 1.1 |
| 氢键供体数 | 2 |
| 氢键受体数 | 4 |
| 可旋转键数 | 5 |
| 精确质量 | 174.08920892 |
| 单同位素质量 | 174.08920892 |
| 拓扑极性表面积 | 74.6 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
2,5-二甲基己二酸 · CAS 4454-18-6 · C8H14O4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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