Heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol (CAS 68855-18-5) — formula C12H26O4, molecular weight 234.33; category organic chemicals.
Heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol is a carbon-based organic compound with CAS registry number 68855-18-5 and molecular formula C12H26O4 (molecular weight 234.33), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 68855-18-5
Its molecular formula C12H26O4 comprises 12 C, 26 H, 4 O atoms.
Also known as: Heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol · Neopentyl glycol heptanoate
Category: organic chemicals
The CAS registry number of Heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol is 68855-18-5.
Molecular formula C12H26O4, molecular weight 234.33.
It is also registered under: Heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol, Neopentyl glycol heptanoate.
Category: Organic Chemicals.
Public-database records for Heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol (CAS 68855-18-5), reproduced here for independent cross-checking.
| GHS 通报统计 | 100% (197 / 197) |
|---|
| GHS 通报统计 | 100% (197 / 197) |
|---|
| CAS 号 | 68855-18-5 |
|---|---|
| PubChem CID | 111656 |
| 分子式 | C12H26O4 |
| IUPAC 名称 | 2,2-dimethylpropane-1,3-diol;heptanoic acid |
Heptanoic acid, neopentyl glycol ester; 68855-18-5; Neopentyl glycol heptanoate; EINECS 272-469-1; Heptanoic acid, ester with 2,2-dimethyl-1,3-propanediol; EC 272-469-1; RefChem:145682; DTXSID30894550; 272-469-1; 2,2-dimethylpropane-1,3-diol;heptanoic acid; SCHEMBL3649201; VRYUGRNJSPQWJC-UHFFFAOYSA-N
| 分子量 | 234.33 |
|---|---|
| 氢键供体数 | 3 |
| 氢键受体数 | 4 |
| 可旋转键数 | 7 |
| 精确质量 | 234.18310931 |
| 单同位素质量 | 234.18310931 |
| 拓扑极性表面积 | 77.8 |
| 重原子数 | 16 |
| 形式电荷 | 0 |
| 复杂度 | 123 |
新戊二醇二庚酸酯 · CAS 68855-18-5 · C12H26O4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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