结构:CC1CCC2C(=O)OC(=O)C2C1
HCID86876

Hexahydro-4-methylphthalic anhydride

5-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione

C9H12O3168.19 g/molCAS 19438-60-9

IDENTITY

结构与身份

标准 SMILES
CC1CCC2C(=O)OC(=O)C2C1
InChIKey
FKBMTBAXDISZGN-UHFFFAOYSA-N
分子式
C9H12O3
平均分子量
168.19 g/mol
单同位素质量
168.07864424

COMPUTED

结构计算性质

等待补全
XLogP
1.4
极性表面积
43.4 Ų
氢键供体
0
氢键受体
3
可旋转键
0
重原子
12
形式电荷
0
复杂度
234
物化、安全与法规信息正在同步。

ALIASES

名称与别名

44
Hexahydro-4-methylphthalic anhydrideDTXSID8044333RefChem:786152DTXCID409330Hexahydro-5-methyl-1,3-isobenzofurandione4-Methylcyclohexane-1,2-dicarboxylic acid anhydride243-072-019438-60-95-Methylhexahydroisobenzofuran-1,3-dione1,3-Isobenzofurandione, hexahydro-5-methyl-4-methylhexahydrophthalic anhydride4-Methyl-1,2-cyclohexanedicarboxylic anhydrideMFCD000059275-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione4-Methylcyclohexane-1,2-dicarboxylic Anhydride4- methylhexahydrophthalic anhydrideMethylhexahydrophthalic anhydride(MHHPA)4- Methylhexahydrophthalic anhydride(4-MHHPA);5-Methylhexahydroisobenzofuran-1,3-dione5-Methyl hexahydro-1,3-isobenzofurandioneNSC-128883

REACTIONS

参与反应

8
HRID148068

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 148068 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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