Cas no 84029-86-7 (1,3-Isobenzofurandione,5-methyl-6-(1-methylethyl)-)
84029-86-7 structure
Product Name:1,3-Isobenzofurandione,5-methyl-6-(1-methylethyl)-
CAS No:84029-86-7
MF:C12H12O3
MW:204.221883773804
CID:725503
PubChem ID:3019602
Update Time:2025-04-19
1,3-Isobenzofurandione,5-methyl-6-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Isobenzofurandione,5-methyl-6-(1-methylethyl)-
- 5-isopropyl-4-methylphthalic anhydride
- 5-methyl-6-propan-2-yl-2-benzofuran-1,3-dione
- DTXSID70232917
- 4-ISOPROPYL-5-METHYLPHTHALIC ANHYDRIDE
- 84029-86-7
- AF4D5X2W28
- UNII-AF4D5X2W28
- NS00038384
- EINECS 281-757-6
- 1,3-Isobenzofurandione, 5-methyl-6-(1-methylethyl)-
-
- Inchi： 1S/C12H12O3/c1-6(2)8-5-10-9(4-7(8)3)11(13)15-12(10)14/h4-6H,1-3H3
- InChI Key： HARMCMJYOSSBBK-UHFFFAOYSA-N
- SMILES： O1C(C2=CC(C)=C(C=C2C1=O)C(C)C)=O
Computed Properties
- Exact Mass: 204.078644
- Monoisotopic Mass: 204.078644
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 295
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 43.4
- XLogP3: 2.8
Experimental Properties
- Density: 1.209
- Boiling Point: 348.7°C at 760 mmHg
- Flash Point: 164.4°C
- Refractive Index: 1.56
1,3-Isobenzofurandione,5-methyl-6-(1-methylethyl)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
84029-86-7 (1,3-Isobenzofurandione,5-methyl-6-(1-methylethyl)-) Related Products
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