2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonic acid (CAS 85391-99-7) — formula C21H20N2O6, molecular weight 396.4; category organic chemicals.
| CAS Number | 85391-99-7 |
|---|---|
| Molecular Formula | C21H20N2O6 |
| Molecular Weight | 396.4 |
| LogP | 2.3 |
| Category | Organic Chemicals |
2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonic acid is a carbon-based organic compound with CAS registry number 85391-99-7 and molecular formula C21H20N2O6 (molecular weight 396.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85391-99-7
Its molecular formula C21H20N2O6 comprises 21 C, 20 H, 2 N, 6 O atoms.
Also known as: 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonic acid · 2-乙酰氨基-2-((5-(苯基甲氧基)吲哚-3-基)甲基)丙二酸
Category: organic chemicals
The CAS registry number of 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonic acid is 85391-99-7.
Molecular formula C21H20N2O6, molecular weight 396.4.
It is also registered under: 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonic acid, 2-乙酰氨基-2-((5-(苯基甲氧基)吲哚-3-基)甲基)丙二酸.
Category: Organic Chemicals.
Independent reference data for 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonic acid (CAS 85391-99-7), compiled from public chemistry databases.
| CAS 号 | 85391-99-7 |
|---|---|
| PubChem CID | 44145708 |
| 分子式 | C21H20N2O6 |
| IUPAC 名称 | 2-acetamido-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioic acid |
| UNII（FDA） | NS00064925 |
| Molecular Weight | 396.4 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 396.13213636 |
| Monoisotopic Mass | 396.13213636 |
| Topological Polar Surface Area | 129 |
| Heavy Atom Count | 29 |
85391-99-7; EINECS 286-856-8; 2-Acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonic acid; DTXSID40234584; NVXJPXIZOAASQU-UHFFFAOYSA-N; NS00064925; Acetamido{[5-(benzyloxy)-1H-indol-3-yl]methyl}propanedioic acid
2-乙酰氨基-2-((5-(苯基甲氧基)吲哚-3-基)甲基)丙二酸 · CAS 85391-99-7 · C21H20N2O6. UNII NS00064925.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.