Cas no 65698-21-7 (4,7-Dihydroxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one)
65698-21-7 structure
Product Name:4,7-Dihydroxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one
CAS No:65698-21-7
MF:C11H12O3
MW:192.211183547974
CID:2794413
PubChem ID:71370297
Update Time:2025-04-21
4,7-Dihydroxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one Chemical and Physical Properties
Names and Identifiers
-
- DTXSID40793287
- 4,7-Dihydroxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one
- 65698-21-7
-
- Inchi： 1S/C11H12O3/c1-11(2)5-8(14)9-6(12)3-4-7(13)10(9)11/h3-4,12-13H,5H2,1-2H3
- InChI Key： NUIZEIMLBBJPET-UHFFFAOYSA-N
- SMILES： O=C1C2C(=CC=C(C=2C(C)(C)C1)O)O
Computed Properties
- Exact Mass: 192.078644241Da
- Monoisotopic Mass: 192.078644241Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 259
- 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: 2.4
- Topological Polar Surface Area: 57.5?2
4,7-Dihydroxy-3,3-dimethyl-2,3-dihydro-1H-inden-1-one Related Literature
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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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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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