Cas no 53206-94-3 (6-methyl-3-(propan-2-yl)-2-propoxybenzoic acid)
53206-94-3 structure
Product Name:6-methyl-3-(propan-2-yl)-2-propoxybenzoic acid
CAS No:53206-94-3
MF:C14H20O3
MW:236.306804656982
CID:1581026
PubChem ID:40660
Update Time:2025-04-21
6-methyl-3-(propan-2-yl)-2-propoxybenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 6-methyl-3-(propan-2-yl)-2-propoxybenzoic acid
- 3-Isopropyl-6-methyl-2-propoxybenzoic acid
- benzoic acid, 6-methyl-3-(1-methylethyl)-2-propoxy-
- 3-Propoxy-p-cymene-2-carboxylic acid
- 6-methyl-3-propan-2-yl-2-propoxybenzoic acid
- BRN 2373682
- Benzoic acid, 3-isopropyl-2-propoxy-6-methyl-
- DTXSID30201280
- p-CYMENE-2-CARBOXYLIC ACID, 3-PROPOXY-
- 53206-94-3
-
- Inchi： 1S/C14H20O3/c1-5-8-17-13-11(9(2)3)7-6-10(4)12(13)14(15)16/h6-7,9H,5,8H2,1-4H3,(H,15,16)
- InChI Key： FUKGUAVFRQEKLQ-UHFFFAOYSA-N
- SMILES： O(CCC)C1C(C(=O)O)=C(C)C=CC=1C(C)C
Computed Properties
- Exact Mass: 236.1413
- Monoisotopic Mass: 236.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 250
- 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: 3.8
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
6-methyl-3-(propan-2-yl)-2-propoxybenzoic acid Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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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
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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