Cas no 112539-47-6 (2-(4-oxo-4-phenylbutan-2-yl)-2,3-dihydroinden-1-one)
112539-47-6 structure
Product Name:2-(4-oxo-4-phenylbutan-2-yl)-2,3-dihydroinden-1-one
CAS No:112539-47-6
MF:C19H18O2
MW:278.345025539398
CID:2609033
PubChem ID:13858262
Update Time:2025-04-21
2-(4-oxo-4-phenylbutan-2-yl)-2,3-dihydroinden-1-one Chemical and Physical Properties
Names and Identifiers
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- 2-(4-oxo-4-phenylbutan-2-yl)-2,3-dihydroinden-1-one
- DTXSID80551308
- 112539-47-6
- 2-(4-Oxo-4-phenylbutan-2-yl)-2,3-dihydro-1H-inden-1-one
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- Inchi： 1S/C19H18O2/c1-13(11-18(20)14-7-3-2-4-8-14)17-12-15-9-5-6-10-16(15)19(17)21/h2-10,13,17H,11-12H2,1H3
- InChI Key： ICIOWIUPUCKEBJ-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2CC1C(C)CC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 278.130679813Da
- Monoisotopic Mass: 278.130679813Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 394
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 34.1?2
2-(4-oxo-4-phenylbutan-2-yl)-2,3-dihydroinden-1-one Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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