n-butylmalonic acid (CAS 5917-45-3) — formula C7H12O4, molecular weight 160.17; category organic chemicals.
n-butylmalonic acid is a carbon-based organic compound with CAS registry number 5917-45-3 and molecular formula C7H12O4 (molecular weight 160.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5917-45-3
Its molecular formula C7H12O4 comprises 7 C, 12 H, 4 O atoms.
Also known as: n-butylmalonic acid · 正丁基丙二酸
Category: organic chemicals
The CAS registry number of n-butylmalonic acid is 5917-45-3.
Molecular formula C7H12O4, molecular weight 160.17.
It is also registered under: n-butylmalonic acid, 正丁基丙二酸.
Category: Organic Chemicals.
Public-database records for n-butylmalonic acid (CAS 5917-45-3), reproduced here for independent cross-checking.
| 已通报的危害声明 | H315 (100%), H319 (100%), H335 (97.5%) |
|---|
| CAS 号 | 5917-45-3 |
|---|---|
| PubChem CID | 10801 |
| 分子式 | C7H12O4 |
| IUPAC 名称 | 2-butylpropanedioic acid |
| UNII（FDA） | 4X9O8XSJ0E |
Butylmalonic acid; 2-Butylmalonic acid; 534-59-8; n-Butylmalonic acid; 1,1-Pentanedicarboxylic acid; Propanedioic acid, butyl-; 2-n-Butylmalonic acid; Malonic acid, butyl-; alpha-Carboxycaproic acid; NSC-791; 4X9O8XSJ0E; RefChem:829441; 208-602-7; 2-butylpropanedioic acid; Butylmalonate; 2-Butylmalonate
| 分子量 | 160.17 |
|---|---|
| XLogP3 | 1.3 |
| 氢键供体数 | 2 |
| 氢键受体数 | 4 |
| 可旋转键数 | 5 |
| 精确质量 | 160.07355886 |
| 单同位素质量 | 160.07355886 |
| 拓扑极性表面积 | 74.6 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
正丁基丙二酸 · CAS 5917-45-3 · C7H12O4. UNII 4X9O8XSJ0E.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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