氘代乙酸(d1) | 758-12-3
中文名称:
氘代乙酸(d1)
英文名称:
Acetic Acid-d
CAS No.:
758-12-3
分子式:
C2 H4 O2
分子量:
60.05196
名称和标识符
MDL
MFCD00051050
InChIKey
QTBSBXVTEAMEQO-DYCDLGHISA-N
Inchi
1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i/hD
SMILES
CC(=O)O[2H]
别名信息
- 中文别名 -
乙酸-D1
氘代乙酸
氘代乙酸-d
乙酸-D
乙酸-D{1}
- 英文别名 -
Acetic (2H)acid
Acetic acid-d
acetic acid,[bis(N,N-diisopropylamino)phosphino]methyl ester
Acetic acid,[bis[bis(1-methylethyl)amino]phosphino]-,methyl ester
acetic acid-d1
monodeuterated acetic acid
Monodeuteroacetic acid
Acetic(2H)acid
DTXSID70997190
Acetic acid-d1
758-12-3
ACETIC ACID-D
AKOS015892954
MFCD00051050
F87420
EINECS 212-059-1
A0636
deuterio acetate
Acetic (acid-d)
Acetic acid-d, 99 atom % D
ethan(?H)oic acid
(O-~2~H)Acetic acid
Acetic Acid-?d
Monodeuteroacetic Acid
CH3COOD
物化性质
实验特性
LogP
0.09090
PSA
37.30000
折射率
n20/D 1.3715(lit.)
沸点
116-117 °C ((lit.))
熔点
15-16 °C (lit.)
蒸气压
11.4 mmHg
闪点
华氏:104 °F 摄氏:40 °C
颜色与性状
无色透明液体
PH值
2.5 (50g/l, H2O, 20℃)
溶解性
能与水、乙醇和乙醚混溶
敏感性
易吸潮
密度
1.059 g/mL at 25 °C(lit.)
计算特性
精确分子量
61.02740
氢键供体数量
1
氢键受体数量
2
可旋转化学键数量
0
同位素质量
61.027406112g/mol
重原子数量
4
复杂度
31
同位素原子数量
1
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)
-0.2
表面电荷
0
拓扑分子极性表面积
37.3
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Electron spin resonance spectra of carboxylic acid radical anions at 77°K
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3.
Infrared and Raman spectroscopic study of carboxylic acids in heavy water
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4.
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