3,4-(Methylenedioxy)mandelic acid (CAS 27738-46-1) — formula C9H8O5, molecular weight 196.16; category organic chemicals.
3,4-(Methylenedioxy)mandelic acid is a carbon-based organic compound with CAS registry number 27738-46-1 and molecular formula C9H8O5 (molecular weight 196.16), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 27738-46-1
Its molecular formula C9H8O5 comprises 9 C, 8 H, 5 O atoms.
Also known as: 3,4-(Methylenedioxy)mandelic acid · 3,4-Methylenedioxymandelic acid
Category: organic chemicals
The CAS registry number of 3,4-(Methylenedioxy)mandelic acid is 27738-46-1.
Molecular formula C9H8O5, molecular weight 196.16.
It is also registered under: 3,4-(Methylenedioxy)mandelic acid, 3,4-Methylenedioxymandelic acid.
Category: Organic Chemicals.
Public-database records for 3,4-(Methylenedioxy)mandelic acid (CAS 27738-46-1), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| CAS Registry Number | 27738-46-1 |
|---|---|
| PubChem CID | 119618 |
| 分子式 | C9H8O5 |
| IUPAC 名称 | 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetic acid |
| UNII（FDA） | 4ZYA58BQJ8 |
27738-46-1; alpha-Hydroxy-1,3-benzodioxole-5-acetic acid; RefChem:484536; 3',4'-Methylenedioxymandelic acid; 248-628-6; 3,4-Methylenedioxymandelic acid; 3,4-(Methylenedioxy)mandelic acid; 1,3-Benzodioxole-5-glycolic acid; 2-(1,3-benzodioxol-5-yl)-2-hydroxyacetic acid; 2-(Benzo[d][1,3]dioxol-5-yl)-2-hydroxyacetic acid; MFCD00043585; 2-(1,3-benzodioxol-5-yl)-2-hydroxy-acetic acid; 4ZYA58BQJ8; 1,3-Benzodioxole-5-acetic acid, .alpha.-hydroxy-; 2-(2H-1,3-benzodioxol-5-yl)-2-hydroxyacetic acid; 1,3-Benzodioxol-5-yl(hydroxy)acetic acid
| 分子量 | 196.16 |
|---|---|
| XLogP3 | 0.8 |
| 氢键供体数 | 2 |
| 氢键受体数 | 5 |
| 可旋转键数 | 2 |
| 精确质量 | 196.03717335 |
| 单同位素质量 | 196.03717335 |
| 拓扑极性表面积 | 76 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
3,4-(Methylenedioxy)mandelic acid · CAS 27738-46-1 · C9H8O5. UNII 4ZYA58BQJ8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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