Cas no 61948-05-8 (1,4-Benzenediol, 2-(2-hydroxyethyl)-5-methyl-)
61948-05-8 structure
Product Name:1,4-Benzenediol, 2-(2-hydroxyethyl)-5-methyl-
CAS No:61948-05-8
MF:C9H12O3
MW:168.189783096313
CID:462623
PubChem ID:71391074
Update Time:2025-04-19
1,4-Benzenediol, 2-(2-hydroxyethyl)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediol, 2-(2-hydroxyethyl)-5-methyl-
- 2-(2-hydroxyethyl)-5-methylbenzene-1,4-diol
- 61948-05-8
- DTXSID80812961
-
- Inchi： 1S/C9H12O3/c1-6-4-9(12)7(2-3-10)5-8(6)11/h4-5,10-12H,2-3H2,1H3
- InChI Key： XCMMTQBGASDSTH-UHFFFAOYSA-N
- SMILES： OC1C=C(C)C(=CC=1CCO)O
Computed Properties
- Exact Mass: 168.07866
- Monoisotopic Mass: 168.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- 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: 1.2
- Topological Polar Surface Area: 60.7?2
Experimental Properties
- PSA: 60.69
1,4-Benzenediol, 2-(2-hydroxyethyl)-5-methyl- Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
61948-05-8 (1,4-Benzenediol, 2-(2-hydroxyethyl)-5-methyl-) Related Products
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