4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID (CAS 63165-02-6) — formula C12H12O3, molecular weight 204.22; category organic chemicals.
| CAS Number | 63165-02-6 |
|---|---|
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.22 |
| LogP | 2 |
| Category | Organic Chemicals |
4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID is a carbon-based organic compound with CAS registry number 63165-02-6 and molecular formula C12H12O3 (molecular weight 204.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 63165-02-6
Its molecular formula C12H12O3 comprises 12 C, 12 H, 3 O atoms.
Also known as: 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID · 4-(3-羟基-3-甲基丁-1-炔-1-基)苯甲酸
Category: organic chemicals
The CAS registry number of 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID is 63165-02-6.
Molecular formula C12H12O3, molecular weight 204.22.
It is also registered under: 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID, 4-(3-羟基-3-甲基丁-1-炔-1-基)苯甲酸.
Category: Organic Chemicals.
Independent reference data for 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID (CAS 63165-02-6), compiled from public chemistry databases.
| CAS 号 | 63165-02-6 |
|---|---|
| PubChem CID | 3921417 |
| 分子式 | C12H12O3 |
| IUPAC 名称 | 4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid |
| Molecular Weight | 204.22 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 204.078644241 |
| Monoisotopic Mass | 204.078644241 |
| Topological Polar Surface Area | 57.5 |
| Heavy Atom Count | 15 |
63165-02-6; 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoic acid; DTXSID10397973; RefChem:513270; DTXCID40348832; 4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid; 4-(3-Hydroxy-3-methyl-1-butyn-1-yl)benzoic acid; MFCD00168835; 4-(3-Hydroxy-3-methyl-1-butynyl)benzoic acid; 4-(3-hydroxy-3-methyl-but-1-ynyl)benzoic Acid; SCHEMBL22442356; NCA16502; STK052796; AKOS003407115; BS-39032; CS-0315734
| 已通报的危害声明 | H302 (100%), H315 (50%), H319 (100%), H335 (50%) |
|---|
4-(3-羟基-3-甲基丁-1-炔-1-基)苯甲酸 · CAS 63165-02-6 · C12H12O3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.