Cas no 91902-87-3 (Ethanone, 1-(1,8-dihydroxy-6-methyl-2-naphthalenyl)-)
91902-87-3 structure
Product Name:Ethanone, 1-(1,8-dihydroxy-6-methyl-2-naphthalenyl)-
CAS No:91902-87-3
MF:C13H12O3
MW:216.232583999634
CID:767154
PubChem ID:71328601
Update Time:2025-04-19
Ethanone, 1-(1,8-dihydroxy-6-methyl-2-naphthalenyl)- Chemical and Physical Properties
Names and Identifiers
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- Ethanone, 1-(1,8-dihydroxy-6-methyl-2-naphthalenyl)-
- 1-(1,8-dihydroxy-6-methylnaphthalen-2-yl)ethanone
- 1-(1,8-Dihydroxy-6-methylnaphthalen-2-yl)ethan-1-one
- 91902-87-3
- DTXSID30757535
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- Inchi： 1S/C13H12O3/c1-7-5-9-3-4-10(8(2)14)13(16)12(9)11(15)6-7/h3-6,15-16H,1-2H3
- InChI Key： JTURDGSXQNLYHD-UHFFFAOYSA-N
- SMILES： OC1C(C(C)=O)=CC=C2C=C(C)C=C(C2=1)O
Computed Properties
- Exact Mass: 216.078644241g/mol
- 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
Ethanone, 1-(1,8-dihydroxy-6-methyl-2-naphthalenyl)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
91902-87-3 (Ethanone, 1-(1,8-dihydroxy-6-methyl-2-naphthalenyl)-) Related Products
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