Cas no 96850-07-6 (1H-Indene-1,4(2H)-dione, 3,5,6,7-tetrahydro-7,7-dimethyl-)
96850-07-6 structure
Product Name:1H-Indene-1,4(2H)-dione, 3,5,6,7-tetrahydro-7,7-dimethyl-
CAS No:96850-07-6
MF:C11H14O2
MW:178.227663516998
CID:751276
PubChem ID:71331608
Update Time:2025-04-19
1H-Indene-1,4(2H)-dione, 3,5,6,7-tetrahydro-7,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indene-1,4(2H)-dione, 3,5,6,7-tetrahydro-7,7-dimethyl-
- 7,7-dimethyl-2,3,5,6-tetrahydroindene-1,4-dione
- DTXSID60760178
- 7,7-Dimethyl-3,5,6,7-tetrahydro-1H-indene-1,4(2H)-dione
- 96850-07-6
-
- Inchi： 1S/C11H14O2/c1-11(2)6-5-8(12)7-3-4-9(13)10(7)11/h3-6H2,1-2H3
- InChI Key： MBZJIRGUZZLXOA-UHFFFAOYSA-N
- SMILES： O=C1CCC2C(CCC(C)(C)C=21)=O
Computed Properties
- Exact Mass: 178.099379685g/mol
- Monoisotopic Mass: 178.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 321
- 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
- XLogP3: 1.2
- Topological Polar Surface Area: 34.1?2
1H-Indene-1,4(2H)-dione, 3,5,6,7-tetrahydro-7,7-dimethyl- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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