Cas no 58138-48-0 (Benzoic acid, 5-ethyl-2-hydroxy-4-methyl-)
58138-48-0 structure
Product Name:Benzoic acid, 5-ethyl-2-hydroxy-4-methyl-
CAS No:58138-48-0
MF:C10H12O3
MW:180.200483322144
CID:342999
PubChem ID:12366420
Update Time:2025-04-19
Benzoic acid, 5-ethyl-2-hydroxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-ethyl-2-hydroxy-4-methyl-
- 5-ethyl-2-hydroxy-4-methylbenzoic acid
- LQBLKEVNOVSUKN-UHFFFAOYSA-N
- DTXSID20494508
- 58138-48-0
- 5-ethyl-4-methylsalicylic acid
-
- Inchi： 1S/C10H12O3/c1-3-7-5-8(10(12)13)9(11)4-6(7)2/h4-5,11H,3H2,1-2H3,(H,12,13)
- InChI Key： LQBLKEVNOVSUKN-UHFFFAOYSA-N
- SMILES： OC1=CC(C)=C(C=C1C(=O)O)CC
Computed Properties
- Exact Mass: 180.07866
- Monoisotopic Mass: 180.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 191
- 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: 2.8
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Benzoic acid, 5-ethyl-2-hydroxy-4-methyl- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
58138-48-0 (Benzoic acid, 5-ethyl-2-hydroxy-4-methyl-) Related Products
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