2,6-二羟基异烟酸 | 99-11-6
中文名称:
2,6-二羟基异烟酸
英文名称:
2,6-dihydroxypyridine-4-carboxylic acid
CAS No.:
99-11-6
分子式:
C6 H5 NO4
分子量:
155.1082
名称和标识符
MDL
MFCD00006274
InChIKey
CSGQJHQYWJLPKY-UHFFFAOYSA-N
Inchi
1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)
SMILES
O([H])C1=C([H])C(C(=O)O[H])=C([H])C(N1[H])=O
BRN
383736
别名信息
- 中文别名 -
2,6-二羟基异烟酸
柠嗪酸
2,6-二羟基吡啶-4-羧酸
2,6-二羟基-4-吡啶羧酸
二羟氮苯甲酸
二缩-酰胺柠檬酸
柠檬酸一水合物
二缩一酰胺柠檬酸
邻嗪酸(2,6-二羟基烟酸)
2,6-二羥異菸鹼酸
2,6-二羟基吡啶-4-甲酸
2,6-二羟异烟碱酸
Citrazinic Acid 柠嗪酸
柠嗪酸(2,6-二羟基异烟酸)
- 英文别名 -
Citrazinic acid
2,6-Dihydroxyisonicotinic acid~2,6-Dihydroxypyridine-4-carboxylic acid
2,6-Dihydroxy-4-pyridincarbonsaeure
2,6-Dihydroxynicotinic Acid
2,6-DIHYDROXYISONICOTINIC ACID
3-(4-Methoxy-2-methyl-phenyl)-propionic acid
6-Hydroxy-2-oxo-1,2-dihydro-pyridine-4-carboxylic acid
2,6-Dihydroxypyridine-4-carboxylic acid
2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
CitrazinicAcid
2,6-Dihydroxy-4-carboxypyridine
Kyselina citrazinova
2,6-Dihydroxyisonicotinate
2,6-Dihydroxy-4-pyridinecarboxylic acid
4-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-2-oxo-
4-Pyridinecarboxylic acid, 2,6-dihydroxy-
Kyselina citrazinova [Czech]
6-Hydroxy-2-oxo-1,2-dihydropyridine-4-carboxylic acid
Isonicotinic acid, 2,6-dihydroxy-
N
2,6-Dihydroxyisonicotinic Acid
2,6-Dihydroxypyridine-4-carboxylic Acid
2,6-Dihydroxyisonicotinic acid
NSC-41334
BS-3855
EN300-00809
Isonicotinic acid, 2,6-dihydroxy-,
NS00020127
EINECS 202-731-2
UNII-N8Q4XFV86A
AKOS000114790
HMS1531D04
AB00673
99-11-6
2,6-Dihydroxypyridine-4-carboxylic acid, 97%
NSC 41334
SCHEMBL185046
N8Q4XFV86A
NSC-5214
SCHEMBL8957131
Isonicotinic acid,6-dihydroxy-
Maybridge4_003590
4-Pyridinecarboxylic acid,6-dihydroxy-
CHEMBL2048371
2,6-Dihydroxy-isoNicotinic acid (Citrazinic acid)
6-Hydroxy-2-oxo-1,2-dihydro-4-pyridinecarboxylic acid #
6-Hydroxy-4-carboxy-2-pyridone
DTXSID3059185
AE-562/40806835
NSC5214
MFCD00006274
CITRAZINIC ACID
AKOS000301520
WLN: T6NJ BQ DVQ FQ
CS-0067136
W-100050
Citrazinc acid
CHEBI:184700
F2191-0236
Isonicotinic acid, 1,2-dihydro-6-hydroxy-2-oxo-
Q5122816
2,6-Dihydroxy-isonicotinic acid
Oprea1_725973
BP-30063
FT-0610664
Citrazinic acid (2,6-Dihydroxypyridine-4-carboxylic acid)
4-Pyridinecarboxylic acid,2-dihydro-6-hydroxy-2-oxo-
1,2-Dihydro-6-hydroxy-2-oxo-4-pyridinecarboxylic acid
AM20070173
CITRAZINIC ACID [MI]
BB 0242402
A845964
Z56855768
物化性质
实验特性
LogP
0.19100
PSA
90.65000
Merck
2325
折射率
1.5423 (estimate)
水溶性
几乎不溶
沸点
278.88°C (rough estimate)
熔点
>300 °C (lit.)
蒸气压
0.0±1.9 mmHg at 25°C
闪点
335.0±31.5 °C
溶解度
practically insoluble
颜色与性状
淡黄色针状结晶或粉末
PH值
3.1-3.5 (100g/l, H2O)(slurry)
溶解性
几乎不溶于冷水。
密度
0.65 g/cm3
计算特性
精确分子量
155.02200
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
155.02185764g/mol
重原子数量
11
复杂度
276
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
互变异构体数量
2
表面电荷
0
拓扑分子极性表面积
86.6
海关数据
海关编码
29333999
海关数据
中国海关编码:
2933399090
概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 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:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
相关文献
1.
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3.
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4.
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Organic chemistry
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6.
Luminescence phenomena of carbon dots derived from citric acid and urea – a molecular insight
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Dan Qu,Zaicheng Sun Mater. Chem. Front. 2020 4 400
参考资料
Reaxys RN
383736
Beilstein
22,254
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