Cas no 54644-18-7 (3,6-Dimethylcyclohexane-1,2-dicarboxylic anhydride)
54644-18-7 structure
Product Name:3,6-Dimethylcyclohexane-1,2-dicarboxylic anhydride
CAS No:54644-18-7
MF:C10H14O3
MW:182.216363430023
CID:2186661
PubChem ID:549393
Update Time:2025-04-21
3,6-Dimethylcyclohexane-1,2-dicarboxylic anhydride Chemical and Physical Properties
Names and Identifiers
-
- 3,6-Dimethylcyclohexane-1,2-dicarboxylic anhydride
- 4,7-Dimethylhexahydro-2-benzofuran-1,3-dione #
- SCHEMBL10519002
- 54644-18-7
- 1,3-Isobenzofurandione, hexahydro-4,7-dimethyl-
- DB-304278
- DKEVJZAPFJJLJS-UHFFFAOYSA-N
-
- Inchi： 1S/C10H14O3/c1-5-3-4-6(2)8-7(5)9(11)13-10(8)12/h5-8H,3-4H2,1-2H3
- InChI Key： DKEVJZAPFJJLJS-UHFFFAOYSA-N
- SMILES： O1C(C2C(C)CCC(C)C2C1=O)=O
Computed Properties
- Exact Mass: 182.094294304g/mol
- Monoisotopic Mass: 182.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 233
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 43.4?2
3,6-Dimethylcyclohexane-1,2-dicarboxylic anhydride Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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