α-苯基丙烯酸 | 492-38-6
中文名称:
α-苯基丙烯酸
英文名称:
Atropic Acid
CAS No.:
492-38-6
分子式:
C9 H8 O2
分子量:
148.1586
名称和标识符
MDL
MFCD00046531
InChIKey
ONPJWQSDZCGSQM-UHFFFAOYSA-N
Inchi
1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11)
SMILES
O([H])C(C(=C([H])[H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O
别名信息
- 中文别名 -
α-苯基丙烯酸
2-苯基丙烯酸
阿托酸
顛茄酸
Α-苯丙烯酸
2-苯丙烯酸
2-苯基丙烯酸,AR
Alpha-苯基丙烯酸
阿托品酸
溴化异丙托品杂质D(EP) 标准品
异丙托溴铵杂质D
- 英文别名 -
2-Phenylacrylic acid
Tropic Acid
2-Phenylpropenoic acid
2-PHENYLPROP-2-ENOIC ACID
ALPHA-PHENYLACRYLIC ACID
2-Propenoic acid, 2-phenyl-
Acrylic acid, 2-phenyl-
alpha-Toluic acid, alpha-methylene-
Atropic Acid
Benzeneacetic acid, .alpha.-methylene-
.alpha.-Phenyl acrylic acid
TW16UA35S0
ONPJWQSDZCGSQM-UHFFFAOYSA-N
NSC20987
.alpha.-Toluic acid, .alpha.-methylene-
alpha-Phenyl acrylic acid
atropasaure
8OZ
2-phenyl-acrylic acid
2-Pheny
2-Phenylacrylic Acid
Ipratropium Bromide Impurity D
a-phenylacrylic acid
IPRATROPIUM BROMIDE IMPURITY C [EP IMPURITY]
2-phenylprop-2-enoic acid
EINECS 207-753-6
ATROPIC ACID [MI]
MFCD00046531
a-Methylenebenzeneacetic acid
FT-0601069
A15594
PD065557
AC-3447
EN300-93624
DTXSID3075418
492-38-6
2-Phenyl Acrylic Acid
SY051220
Atropicacid
Atropic acid
Propenoic acid, 2-phenyl-
Q27290450
NSC-20987
W-106030
AKOS006345201
Z1201618094
PS-3677
CS-M0672
.alpha.-Phenylacrylic acid
.ALPHA.-METHYLENEBENZENEACETIC ACID
NS00031875
NSC 20987
UNII-TW16UA35S0
AMY39233
Benzeneacetic acid, alpha-methylene-
BCP01226
Ipratropium Bromide Imp. D (EP)
2-Phenylpropenoic Acid
Atropic Acid
Ipratropium Bromide Impurity D
Ipratropium Impurity D
SCHEMBL44226
物化性质
实验特性
LogP
1.78440
PSA
37.30000
Merck
874
折射率
1.5049 (estimate)
沸点
267°C(lit.)
熔点
105.0 to 109.0 deg-C
闪点
174.521°C
密度
1.0061 (rough estimate)
计算特性
精确分子量
148.05200
氢键供体数量
1
氢键受体数量
2
可旋转化学键数量
2
同位素质量
148.052
重原子数量
11
复杂度
166
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)
2
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
37.3
海关数据
海关编码
2916399090
海关数据
中国海关编码:
2916399090
概述:
2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 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, 丙烯酸、丙烯酸盐或酯应报明包装
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
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参考资料
Reaxys RN
1906418
Beilstein
MFCD00046531
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