Cas no 832109-85-0 (2,5-Cyclohexadiene-1,4-dione, (1,1-dimethylethyl)hydroxy-)
832109-85-0 structure
Product Name:2,5-Cyclohexadiene-1,4-dione, (1,1-dimethylethyl)hydroxy-
CAS No:832109-85-0
MF:C10H12O3
MW:180.200483322144
CID:676323
PubChem ID:22172258
Update Time:2025-04-19
2,5-Cyclohexadiene-1,4-dione, (1,1-dimethylethyl)hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione, (1,1-dimethylethyl)hydroxy-
- 2-tert-butyl-3-hydroxycyclohexa-2,5-diene-1,4-dione
- t-butylhydroxyquinone
- SCHEMBL152956
- DTXSID70623200
- 832109-85-0
-
- Inchi： 1S/C10H12O3/c1-10(2,3)8-6(11)4-5-7(12)9(8)13/h4-5,13H,1-3H3
- InChI Key： FPPBCRLXUHYGHR-UHFFFAOYSA-N
- SMILES： OC1C(C=CC(C=1C(C)(C)C)=O)=O
Computed Properties
- Exact Mass: 180.078644241g/mol
- Monoisotopic Mass: 180.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 327
- 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: 1.6
- Topological Polar Surface Area: 54.4?2
2,5-Cyclohexadiene-1,4-dione, (1,1-dimethylethyl)hydroxy- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
832109-85-0 (2,5-Cyclohexadiene-1,4-dione, (1,1-dimethylethyl)hydroxy-) Related Products
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