Cas no 77744-52-6 (5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione)
77744-52-6 structure
Product Name:5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
CAS No:77744-52-6
MF:C10H14O3
MW:182.216363430023
CID:2006360
PubChem ID:13964534
Update Time:2025-04-21
5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione
- syncarpic acid
- ICXMZHQQUWNXSF-UHFFFAOYSA-N
- 77744-52-6
- SCHEMBL13447522
- F95058
- 5-Hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione
-
- Inchi： 1S/C10H14O3/c1-9(2)6(11)5-7(12)10(3,4)8(9)13/h5,11H,1-4H3
- InChI Key： ICXMZHQQUWNXSF-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C)C(C=C(C1(C)C)O)=O
Computed Properties
- Exact Mass: 182.094294304g/mol
- Monoisotopic Mass: 182.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 308
- 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: 1.4
- Topological Polar Surface Area: 54.4?2
5-hydroxy-2,2,6,6-tetramethylcyclohex-4-ene-1,3-dione Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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