L-柔胺氢氯化物 | 1113-60-6
中文名称:
L-柔胺氢氯化物
英文名称:
β-Hydroxypyruvic Acid
CAS No.:
1113-60-6
分子式:
C3 H4 O4
分子量:
104.06146
名称和标识符
MDL
MFCD00083380
InChIKey
HHDDCCUIIUWNGJ-UHFFFAOYSA-N
SMILES
O=C(O)C(CO)=O
别名信息
- 中文别名 -
[癸烷酸与2-乙基-2-(羟甲基)-1,3-丙二醇辛酯]的酯化物
3-羟基-2-羰基丙酸
3-羟基-2-氧代丙酸
L-柔胺氢氯化物
3-羟基丙酮酸
- 英文别名 -
Propanoic acid,3-hydroxy-2-oxo-
3-hydroxy-2-oxopropanoic acid
3-hydroxypyruvate
3-Hydroxypyruvic acid
3PY
hydroxypyruvate
hydroxy-pyruvic acid
OH-pyr
OH-pyruvate
hydroxypyruvic aci
Hydroxypyruvic acid
beta-Hydroxypyruvic acid
物化性质
实验特性
LogP
-1.36760
PSA
74.60000
沸点
252.9±23.0 ºC (760 Torr),
熔点
202 ºC (ethanol )
闪点
121.0±19.1 ºC,
FEMA
3843 | 3-HYDROXY-2-OXOPROPIONIC ACID
溶解度
极易溶解 (1000 g/L) (25 ºC),
颜色与性状
白色结晶性粉末.
溶解性
溶于水(50g/L,20℃)和白油(<100g/kg,20℃)。
密度
1.546±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量
104.01100
氢键供体数量
2
氢键受体数量
4
可旋转化学键数量
2
同位素质量
104.011
重原子数量
7
复杂度
95.1
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
互变异构体数量
5
表面电荷
0
拓扑分子极性表面积
74.6A^2
海关数据
海关编码
2918990090
海关数据
中国海关编码:
2918990090
概述:
2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
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