S-(+)-o-Chloromandelic acid (CAS 52950-19-3) — formula C8H7ClO3, molecular weight 186.59; category organic chemicals.
S-(+)-o-Chloromandelic acid is a carbon-based organic compound with CAS registry number 52950-19-3 and molecular formula C8H7ClO3 (molecular weight 186.59), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 52950-19-3
Its molecular formula C8H7ClO3 comprises 8 C, 7 H, 1 Cl, 3 O atoms.
Also known as: S-(+)-o-Chloromandelic acid · S-(+)2-Chloro Mandelic acid
Category: organic chemicals
The CAS registry number of S-(+)-o-Chloromandelic acid is 52950-19-3.
Molecular formula C8H7ClO3, molecular weight 186.59.
It is also registered under: S-(+)-o-Chloromandelic acid, S-(+)2-Chloro Mandelic acid.
Category: Organic Chemicals.
Public-database records for S-(+)-o-Chloromandelic acid (CAS 52950-19-3), reproduced here for independent cross-checking.
| Reported hazard statements | H317 (99%), H318 (99%) |
|---|
H317 (99%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H318 (99%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
| CAS Registry Number | 52950-19-3 |
|---|---|
| PubChem CID | 6922874 |
| 分子式 | C8H7ClO3 |
| IUPAC 名称 | (2S)-2-(2-chlorophenyl)-2-hydroxyacetic acid |
| UNII（FDA） | P3948WAT0C |
52950-19-3; (S)-(+)-2-Chloromandelic acid; (S)-2-Chloromandelic acid; (2S)-2-(2-chlorophenyl)-2-hydroxyacetic acid; UNII-P3948WAT0C; P3948WAT0C; (s)-o-chloromandelic acid; EC 700-307-6; (+)-2-CHLOROMANDELIC ACID; RWJ-333369 METABOLITE M5; R288222; BENZENEACETIC ACID, 2-CHLORO-.ALPHA.-HYDROXY-, (S)-; BENZENEACETIC ACID, 2-CHLORO-.ALPHA.-HYDROXY-, (.ALPHA.S)-; S-(2-chlorophenyl)(hydroxy)acetic acid; RefChem:70392; Benzeneacetic acid, 2-chloro-alpha-hydroxy-, (alphaS)-
| 分子量 | 186.59 |
|---|---|
| XLogP3 | 1.5 |
| 氢键供体数 | 2 |
| 氢键受体数 | 3 |
| 可旋转键数 | 2 |
| 精确质量 | 186.0083718 |
| 单同位素质量 | 186.0083718 |
| 拓扑极性表面积 | 57.5 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
S-(+)-o-Chloromandelic acid · CAS 52950-19-3 · C8H7ClO3. UNII P3948WAT0C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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