酸草醯脲 | 585-05-7
中文名称:
酸草醯脲
英文名称:
Acetic acid,2-[(aminocarbonyl)amino]-2-oxo-
CAS No.:
585-05-7
分子式:
C3 H4 N2 O4
分子量:
132.07486
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:酸草醯脲结构式
名称和标识符
InChIKey
UWBHMRBRLOJJAA-UHFFFAOYSA-N
Inchi
InChI=1S/C3H4N2O4/c4-3(9)5-1(6)2(7)8/h(H,7,8)(H3,4,5,6,9)
SMILES
C(=O)(C(=O)O)NC(=O)N
别名信息
- 英文别名 -
Acetic acid,2-[(aminocarbonyl)amino]-2-oxo-
2-(carbamoylamino)-2-oxoacetic acid
3-OXALURIC ACID
Acetic acid,[(aminocarbonyl)amino]oxo
Carbamoyloxalamidsaeure
Carbamoyloxamic acid
Monooxalylurea
oxalic acid-monoureide
Oxalsaeure-monoureid
oxalureate
Oxalureidsaeure
Oxaluric acid
Oxalursaeure
ureido(oxo)acetic acid
[(Aminocarbonyl)amino](oxo)acetic acid #
UGC
carbamoylamino(oxo)acetic acid
DTXSID00207214
FT-0693010
Acetic acid, [(aminocarbonyl)amino]oxo-
SCHEMBL899896
Q27101984
UWBHMRBRLOJJAA-UHFFFAOYSA-N
AKOS006273229
(carbamoylamino)(oxo)acetic acid
Acetic acid, ((aminocarbonyl)amino)oxo-
Oxalursaure
585-05-7
C00802
onooxalylurea
CHEBI:16582
2-oxo-2-ureidoacetic acid
3-Oxaluric acid
oxal
Oxalureate
Oxalurate
物化性质
实验特性
LogP
-0.64290
PSA
109.49000
计算特性
精确分子量
132.01700
氢键供体数量
3
氢键受体数量
4
可旋转化学键数量
1
同位素质量
132.01710661g/mol
重原子数量
9
复杂度
163
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)
-0.7
拓扑分子极性表面积
110Ų
相关文献
1.
Characterization of an oxaluric acid derivative as a guanine oxidation product
Christel Seguy,Geneviève Pratviel,Bernard Meunier Chem. Commun. 2001 2116
2.
Oxidised guanidinohydantoin (Ghox) and spiroiminodihydantoin (Sp) are major products of iron- and copper-mediated 8-oxo-7,8-dihydroguanine and 8-oxo-7,8-dihydro-2′-deoxyguanosine oxidation
Blánaid White,Maricar C. Tarun,Nicholas Gathergood,James F. Rusling,Malcolm R. Smyth Mol. BioSyst. 2005 1 373
3.
The determination of oxalic acid in urine
A. Hodgkinson,P. M. Zarembski Analyst 1961 86 16
4.
151. The permanganate oxidation of uracil and cytosine and their 1-substituted derivatives
B. Chatamra,A. S. Jones J. Chem. Soc. 1963 811
5.
Organic chemistry
J. Chem. Soc. Abstr. 1907 92 A577
6.
Organic chemistry
J. Chem. Soc. Abstr. 1907 92 A457
7.
Organic chemistry
J. Chem. Soc. 1871 24 808
8.
Organic chemistry
J. Chem. Soc. Abstr. 1924 126 i481
9.
Index pages
Analyst 1900 25 A001
10.
Physiological chemistry
J. Chem. Soc. Abstr. 1903 84 B305
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