2-氧代-2,3-二氢-1H-咪唑-4-羧酸 | 39828-47-2
2-氧代-2,3-二氢-1H-咪唑-4-羧酸
2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid
39828-47-2
C4H4N2O3
128.08616
名称和标识符
MDL |
MFCD01547735 |
InChIKey |
XJSWLMGZMRUNLP-UHFFFAOYSA-N |
Inchi |
InChI=1S/C4H4N2O3/c7-3(8)2-1-5-4(9)6-2/h1H,(H,7,8)(H2,5,6,9) |
SMILES |
OC(=O)C1=CNC(=O)N1 |
别名信息
- 英文别名 -
- 2,3-dihydro-2-oxo-1H-Imidazole-4-carboxylic acid
- 2-OXO-2,3-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLIC ACID
- 1H-Imidazole-4-carboxylicacid, 2,3-dihydro-2-oxo-
- 2-Hydroxy-1H-imidazole-4-carboxylic acid
- 2-oxo-1,3-dihydroimidazole-4-carboxylic acid
- 39828-47-2
- BF-0007
- AMY5017
- AKOS000300337
- AKOS001053025
- AC-29625
- EN300-08023
- CS-W009540
- 2-OXO-2,3-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLICACID
- FT-0677939
- J-510212
- SCHEMBL20582681
- MFCD01547735
- DTXSID60362772
- 2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid
- F31133
- 2-oxo-1,3-dihydroimidazole-4-carboxylic acid
- 2-Oxo-2,3-dihydro-1H-imidazole-4-carboxylic Acid
- Oprea1_635540
- SCHEMBL2135245
- Z56921827
- 2,3-DIHYDRO-2-OXO-1H-IMIDAZOLE-4-CARBOXYLIC ACID
- SY018249
- 2-Hydroxy-1H-imidazole-4-carboxylic acid, AldrichCPR
- F2124-0558
- SCHEMBL18782845
- 2-Oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid, AldrichCPR
- AB09197
- AO-080/40387978
- A824755
- 1H-IMIDAZOLE-4-CARBOXYLIC ACID, 2,3-DIHYDRO-2-OXO-
物化性质
实验特性
LogP |
-0.59880 |
PSA |
85.95000 |
沸点 |
No data available |
熔点 |
270 ºC |
闪点 |
No data available |
溶解度 |
Very 微溶 (0.97 g/L) (25 ºC), |
颜色与性状 |
No data available |
密度 |
1.584±0.06 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
128.02200 |
氢键供体数量 |
3 |
氢键受体数量 |
5 |
可旋转化学键数量 |
1 |
同位素质量 |
128.022 |
重原子数量 |
9 |
复杂度 |
196 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
-1.1 |
拓扑分子极性表面积 |
78.4A^2 |