双酚基-A-d16 | 96210-87-6
中文名称:
双酚基-A-d16
英文名称:
Phen-2,3,5,6-d4-ol-d,4,4'-[1-(methyl-d3)ethylidene-2,2,2-d3]bis-
CAS No.:
96210-87-6
分子式:
C1 5 H1 6 O2
分子量:
244.384931564331
名称和标识符
InChIKey
IISBACLAFKSPIT-MAJJRYNQSA-N
Inchi
1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D,9D,10D/hD2
SMILES
C(C1C([2H])=C([2H])C(O[2H])=C([2H])C=1[2H])(C1C([2H])=C([2H])C(O[2H])=C([2H])C=1[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
别名信息
- 中文别名 -
二苯酚A-d16
双酚 A-d16
双酚A D16 标准品
双酚A-D16氘代
双酚基-A-d16
- 英文别名 -
Phen-2,3,5,6-d4-ol-d,4,4'-[1-(methyl-d3)ethylidene-2,2,2-d3]bis-
1,2,4,5-tetradeuterio-3-deuteriooxy-6-[1,1,1,3,3,3-hexadeuterio-2-(2,3,5,6-tetradeuterio-4-deuteriooxyphenyl)propan-2-yl]benzene
Bisphenol A-d16
Bisphenol-A-d16
Bisphenol-A-d161000µg
Deuterated bisphenol A
2,2-·Bis(4-·hydroxyphenyl)·propane-D16
4,4·-Isopropylidenediphenol-D16
4,4′-[1-(Methyl-d3)ethylidene-2,2,2-d3]bis[phen-2,3,5,6-d4-ol-d] (ACI)
物化性质
实验特性
LogP
3.42370
PSA
40.46000
沸点
220 °C/4 mmHg(lit.)
熔点
157-159 °C (lit.)
闪点
192.4 °C
颜色与性状
固体
密度
1.224
计算特性
精确分子量
244.21500
氢键供体数量
2
氢键受体数量
2
可旋转化学键数量
2
重原子数量
17
复杂度
209
同位素原子数量
16
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)
无
互变异构体数量
3
表面电荷
0
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