Cas no 91368-52-4 (Ethanone,1-(2,3-dihydroxy-1-naphthalenyl)-)
91368-52-4 structure
Product Name:Ethanone,1-(2,3-dihydroxy-1-naphthalenyl)-
CAS No:91368-52-4
MF:C12H10O3
MW:202.206003665924
CID:799668
PubChem ID:604561
Update Time:2025-04-19
Ethanone,1-(2,3-dihydroxy-1-naphthalenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(2,3-dihydroxy-1-naphthalenyl)-
- Ethanone, 1-(2,3-dihydroxy-1-naphthalenyl)- (9CI)
- 1-(2,3-dihydroxynaphthalen-1-yl)ethan-1-one
- 91368-52-4
- 1-(2,3-Dihydroxy-1-naphthyl)ethanone #
- MLNSSNSMQHUHRH-UHFFFAOYSA-N
- 1-(2,3-dihydroxynaphthalen-1-yl)ethanone
- SCHEMBL2944393
- 1-Acetyl-2,3-naphthalenediol
-
- Inchi： 1S/C12H10O3/c1-7(13)11-9-5-3-2-4-8(9)6-10(14)12(11)15/h2-6,14-15H,1H3
- InChI Key： MLNSSNSMQHUHRH-UHFFFAOYSA-N
- SMILES： OC1=C(C=C2C=CC=CC2=C1C(C)=O)O
Computed Properties
- Exact Mass: 202.062994177g/mol
- Monoisotopic Mass: 202.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 251
- 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: 2.7
- Topological Polar Surface Area: 57.5?2
Ethanone,1-(2,3-dihydroxy-1-naphthalenyl)- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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