Cas no 7672-77-7 (4,5-Dimethyl-7-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione)
7672-77-7 structure
Product Name:4,5-Dimethyl-7-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CAS No:7672-77-7
MF:C14H18O3
MW:234.290924549103
CID:537334
PubChem ID:4075215
Update Time:2024-03-01
4,5-Dimethyl-7-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Chemical and Physical Properties
Names and Identifiers
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- 1,3-Isobenzofurandione,3a,4,7,7a-tetrahydro-4,5-dimethyl-7-(2-methyl-1-propenyl)-
- 1,2,3,6-Tetrahydro-6-isobutenyl-3,4-dimethylphthalic anhydride
- 5,6-dimethyl-3-(2-methylprop-1-en-1-yl)cyclo-hex-4-ene-1,2-dicarboxylic anhydride
- 4,5-Dimethyl-7-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
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- Inchi： 1S/C14H18O3/c1-7(2)5-10-6-8(3)9(4)11-12(10)14(16)17-13(11)15/h5-6,9-12H,1-4H3
- InChI Key： WGCKYCGUJYPRCV-UHFFFAOYSA-N
- SMILES： O1C(C2C(/C=C(\C)/C)C=C(C)C(C)C2C1=O)=O
Computed Properties
- Exact Mass: 234.125594432g/mol
- Monoisotopic Mass: 234.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 427
- 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
- Topological Polar Surface Area: 43.4
- XLogP3: 2.5
4,5-Dimethyl-7-(2-methylprop-1-enyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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