5-Amino-3-oxo-5-phenyl-4-pentenoic acid methyl ester (CAS 52812-85-8) — formula C12H13NO3, molecular weight 219.24; category organic chemicals.
5-Amino-3-oxo-5-phenyl-4-pentenoic acid methyl ester is a carbon-based organic compound with CAS registry number 52812-85-8 and molecular formula C12H13NO3 (molecular weight 219.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 52812-85-8
Its molecular formula C12H13NO3 comprises 12 C, 13 H, 1 N, 3 O atoms.
Also known as: 5-Amino-3-oxo-5-phenyl-4-pentenoic acid methyl ester · 5-氨基-3-氧代-5-苯基-4-戊烯酸甲酯
Category: organic chemicals
The CAS registry number of 5-Amino-3-oxo-5-phenyl-4-pentenoic acid methyl ester is 52812-85-8.
Molecular formula C12H13NO3, molecular weight 219.24.
It is also registered under: 5-Amino-3-oxo-5-phenyl-4-pentenoic acid methyl ester, 5-氨基-3-氧代-5-苯基-4-戊烯酸甲酯.
Category: Organic Chemicals.
Public-database records for 5-Amino-3-oxo-5-phenyl-4-pentenoic acid methyl ester (CAS 52812-85-8), reproduced here for independent cross-checking.
| CAS 号 | 52812-85-8 |
|---|---|
| PubChem CID | 170991143 |
| 分子式 | C12H13NO3 |
| IUPAC 名称 | methyl 5-amino-3-oxo-5-phenylpent-4-enoate |
DB-306441; 5-Amino-3-oxo-5-phenyl-4-pentenoic acid methyl ester; 52812-85-8
| 分子量 | 219.24 |
|---|---|
| XLogP3 | 1.7 |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 5 |
| 精确质量 | 219.08954328 |
| 单同位素质量 | 219.08954328 |
| 拓扑极性表面积 | 69.4 |
| 重原子数 | 16 |
| 形式电荷 | 0 |
5-氨基-3-氧代-5-苯基-4-戊烯酸甲酯 · CAS 52812-85-8 · C12H13NO3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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