3-Methyladipic acid (CAS 3058-01-3) — formula C7H12O4, molecular weight 160.17; category organic chemicals.
3-Methyladipic acid is a carbon-based organic compound with CAS registry number 3058-01-3 and molecular formula C7H12O4 (molecular weight 160.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3058-01-3
Its molecular formula C7H12O4 comprises 7 C, 12 H, 4 O atoms.
Also known as: 3-Methyladipic acid
Category: organic chemicals
The CAS registry number of 3-Methyladipic acid is 3058-01-3.
Molecular formula C7H12O4, molecular weight 160.17.
It is also registered under: 3-Methyladipic acid.
Category: Organic Chemicals.
Public-database records for 3-Methyladipic acid (CAS 3058-01-3), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H319 (100%), H335 (97.8%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| CAS Registry Number | 3058-01-3 |
|---|---|
| PubChem CID | 12292 |
| 分子式 | C7H12O4 |
| IUPAC 名称 | 3-methylhexanedioic acid |
3-METHYLADIPIC ACID; 3058-01-3; CHEBI:68503; RefChem:390675; (+-)-3-Methyladipic acid; 221-293-3; 3-METHYLHEXANEDIOIC ACID; Hexanedioic acid, 3-methyl-; Hexanedioic acid,3-methyl-; MFCD00002804; 3-methyl-hexanedioic acid; (+)-3-Methyladipic acid; 61898-58-6; 3-methyl-adipic acid; beta-Methyl-adipic acid; (+/-)-3-Methyladipic acid
| 分子量 | 160.17 |
|---|---|
| XLogP3 | 0.4 |
| 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 |
3-Methyladipic acid · CAS 3058-01-3 · C7H12O4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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