Cas no 52244-30-1 (Phenol, 2,6-dimethoxy-3-methyl-)
52244-30-1 structure
Product Name:Phenol, 2,6-dimethoxy-3-methyl-
CAS No:52244-30-1
MF:C9H12O3
MW:168.189783096313
CID:360108
PubChem ID:13158255
Update Time:2025-04-19
Phenol, 2,6-dimethoxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,6-dimethoxy-3-methyl-
- 2,6-dimethoxy-3-methylphenol
- 52244-30-1
- SCHEMBL12584714
- DTXSID00523183
-
- Inchi： 1S/C9H12O3/c1-6-4-5-7(11-2)8(10)9(6)12-3/h4-5,10H,1-3H3
- InChI Key： CACIHTRUBCBPJP-UHFFFAOYSA-N
- SMILES： O(C)C1C(=C(C=CC=1C)OC)O
Computed Properties
- Exact Mass: 168.07866
- Monoisotopic Mass: 168.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 138
- 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: 1.9
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
Phenol, 2,6-dimethoxy-3-methyl- Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
52244-30-1 (Phenol, 2,6-dimethoxy-3-methyl-) Related Products
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