5,6-二氢-[1,1’-联苯]-3(4H)-酮 | 10345-87-6
中文名称:
5,6-二氢-[1,1’-联苯]-3(4H)-酮
英文名称:
3-Phenyl-2-cyclohexen-1-one
CAS No.:
10345-87-6
分子式:
C1 2 H1 2 O
分子量:
172.22308
名称和标识符
MDL
MFCD00029515
InChIKey
DIELDZAPFMXAHA-UHFFFAOYSA-N
Inchi
InChI=1S/C12H12O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
SMILES
C1=CC=C(C=C1)C2=CC(=O)CCC2
别名信息
- 中文别名 -
1-苯基-1-环己烯-3-酮
5,6-二氢-[1,1’-联苯]-3(4H)-酮
- 英文别名 -
5,6-Dihydro[1,1'-biphenyl]-3(4H)-one
2-Cyclohexen-1-one,3-phenyl-
3-Phenyl-2-cyclohexen-1-one
3-phenylcyclohex-2-en-1-one
1-Phenylcyclohexen-3-one
2-Cyclohexen-1-one,3-phenyl
3-Phenyl-2-cyclohexenone
3-Phenyl-2-cyclohexene-1-one
NSC 63067
BDBM50243787
2-Cyclohexen-1-one, 3-phenyl-
3-phenyl-cyclohex-2-en-1-one
NCGC00161071-02
3-Phenyl-2-cyclohexen-1-one #
EINECS 233-755-1
NCGC00161071-01
SMR000477876
NSC-63067
Z1201617608
3-Phenyl-cyclohex-2-enone
10345-87-6
SCHEMBL679561
A851266
MLS001060693
CHEMBL503170
EN300-85031
5,6-Dihydro-[1,1'-biphenyl]-3(4H)-one
HMS2201B09
MLS001180171
3-Phenylcyclohex-2-en-1-one
NCIOpen2_000257
NSC63067
NS00023236
HMS3354N13
3-phenylcyclohex-2-enone
AKOS006343762
BS-26175
DTXSID2065044
WRW3EDX5ZE
物化性质
实验特性
LogP
2.82300
PSA
17.07000
沸点
282 ºC
熔点
64-65 ºC
闪点
114 ºC
密度
1.087
计算特性
精确分子量
172.08900
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
1
同位素质量
172.088815002g/mol
重原子数量
13
复杂度
221
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)
2.1
拓扑分子极性表面积
17.1Ų
海关数据
海关编码
2914399090
海关数据
中国海关编码:
2914399090
概述:
2914399090. 其他不含其他含氧基的芳香酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙酮报明包装
Summary:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
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