Cas no 61983-38-8 (Ethanone, 1-(3,4-dihydroxy-7-methyl-2-naphthalenyl)-)
61983-38-8 structure
Product Name:Ethanone, 1-(3,4-dihydroxy-7-methyl-2-naphthalenyl)-
CAS No:61983-38-8
MF:C13H12O3
MW:216.232583999634
CID:461597
PubChem ID:12316553
Update Time:2025-04-19
Ethanone, 1-(3,4-dihydroxy-7-methyl-2-naphthalenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(3,4-dihydroxy-7-methyl-2-naphthalenyl)-
- 1-(3,4-dihydroxy-7-methylnaphthalen-2-yl)ethanone
- DTXSID70487703
- 61983-38-8
-
- Inchi： 1S/C13H12O3/c1-7-3-4-10-9(5-7)6-11(8(2)14)13(16)12(10)15/h3-6,15-16H,1-2H3
- InChI Key： XFZZKVLYZBELQR-UHFFFAOYSA-N
- SMILES： OC1C(=C(C(C)=O)C=C2C=C(C)C=CC2=1)O
Computed Properties
- Exact Mass: 216.07866
- Monoisotopic Mass: 216.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 276
- 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: 3.1
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Ethanone, 1-(3,4-dihydroxy-7-methyl-2-naphthalenyl)- Related Literature
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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