Cas no 7452-08-6 (Benzenemethanol, 2-hydroxy-3-methoxy-5-methyl-)
7452-08-6 structure
Product Name:Benzenemethanol, 2-hydroxy-3-methoxy-5-methyl-
CAS No:7452-08-6
MF:C9H12O3
MW:168.189783096313
CID:540880
PubChem ID:12036457
Update Time:2025-04-19
Benzenemethanol, 2-hydroxy-3-methoxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 2-hydroxy-3-methoxy-5-methyl-
- 2-(hydroxyMethyl)-6-Methoxy-4-Methylphenol
- SCHEMBL2621002
- DTXSID10476292
- 7452-08-6
- 2-Hydroxy-3-methoxy-5-methylbenzylalkohol
-
- Inchi: 1S/C9H12O3/c1-6-3-7(5-10)9(11)8(4-6)12-2/h3-4,10-11H,5H2,1-2H3
- InChI Key: BOZGGOONTTZMOI-UHFFFAOYSA-N
- SMILES: O(C)C1C=C(C)C=C(CO)C=1O
Computed Properties
- Exact Mass: 168.07866
- Monoisotopic Mass: 168.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- 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: 1.6
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.69
Benzenemethanol, 2-hydroxy-3-methoxy-5-methyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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