6-氧代-1,6-二氢嘧啶-5-甲酸 | 65754-04-3
中文名称:
6-氧代-1,6-二氢嘧啶-5-甲酸
英文名称:
4-oxo-1,4-dihydropyrimidine-5-carboxylic acid
CAS No.:
65754-04-3
分子式:
C5 H4 N2 O3
分子量:
140.09686088562
名称和标识符
MDL
MFCD08692965
InChIKey
JKDACPUPAMICIA-UHFFFAOYSA-N
Inchi
1S/C5H4N2O3/c8-4-3(5(9)10)1-6-2-7-4/h1-2H,(H,9,10)(H,6,7,8)
SMILES
O=C1C(C(=O)O)=CN=CN1
别名信息
- 中文别名 -
6-氧代-1,6-二氢嘧啶-5-甲酸
1-(2-乙基丁基)哌嗪
4-羟基吡啶-5-羧酸
4-羟基嘧啶-5-甲酸
4-羟基嘧啶-5-羧酸
- 英文别名 -
4-Hydroxypyrimidine-5-carboxylic acid
4-Hydroxy-pyrimidine-5-carboxylic acid
5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo- (9CI)
6-OXO-1,6-DIHYDRO-5-PYRIMIDINECARBOXYLIC ACID
6-Oxo-1,6-dihydro-pyrimidine-5-carboxylic acid
6-oxo-1H-pyrimidine-5-carboxylic acid
6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid(SALTDATA: FREE)
6-Oxo-1,6-dihydropyrimidine-5-carboxylic acid
4-oxo-1,4-dihydropyrimidine-5-carboxylic acid
5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-
KSC915M4D
JKDACPUPAMICIA-UHFFFAOYSA-N
HMS3435F02
EBD16646
F2199-0023
BB 0238899
4-hydroxy-5-pyrimidine carboxylic acid
6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLICACID
4-Oxo-3,4-dihydro-5-pyrimidinecarboxylic Acid
4-hydroxy-5-pyrimidinecarboxylic acid
SY009650
1420685-43-3
FD7408
6-OXO-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLIC ACID
AKOS001773964
6-Oxo-1,6-dihydro-5-pyrimidinecarboxylic acid
SCHEMBL798220
Z1350606493
6-Oxo-1 pound not6-dihydropyrimidine-5-carboxylic acid
SB57835
BB 0255265
AKOS024015495
EN300-93528
MFCD08692965
AM9779
65754-04-3
AKOS000277087
CS-W022518
AC-25289
J-515533
FT-0741374
BS-3792
1,6-Dihydro-6-oxo-5-pyrimidinecarboxylic acid
A835220
3,4-Dihydro-4-oxopyrimidine-5-carboxylic acid
DTXSID80568830
物化性质
实验特性
LogP
-0.11960
PSA
83.31000
计算特性
精确分子量
140.02200
氢键供体数量
2
氢键受体数量
4
可旋转化学键数量
1
同位素质量
140.02219199g/mol
重原子数量
10
复杂度
241
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)
-0.4
拓扑分子极性表面积
78.8
海关数据
海关编码
2933599090
海关数据
中国海关编码:
2933599090
概述:
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
相关文献
1.
Notes
H. C. Cowen,F. Riding,E. Warhurst,A. D. Buckingham,R. J. W. Le Fèvre,G. D. Meakins,R. N. Haszeldine,J. Jander,G. R. Clemo,B. W. Fox,Richard Raper,J. F. W. McOmie,I. M. White,O. L. Brady,P. E. Halstead,A. G. Sharpe,G. W. Gray,Brynmor Jones,J. Cast,T. S. Stevens,F. Bell,J. W. Cook,Leon Hunter,R. M. Barrer,N. Mackenzie,D. MacLeod,C. C. Barker,F. D. Casson,G. F. Laws,W. Carruthers,E. S. Lane,C. Williams J. Chem. Soc. 1953 4168