Cas no 62315-36-0 (Benzenehexanoic acid, 3,5-dimethyl-)
62315-36-0 structure
Product Name:Benzenehexanoic acid, 3,5-dimethyl-
CAS No:62315-36-0
MF:C14H20O2
MW:220.307404518127
CID:449582
PubChem ID:44720491
Update Time:2025-04-19
Benzenehexanoic acid, 3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenehexanoic acid, 3,5-dimethyl-
- 6-(3,5-dimethylphenyl)hexanoic acid
- 62315-36-0
- DTXSID40660405
-
- Inchi： 1S/C14H20O2/c1-11-8-12(2)10-13(9-11)6-4-3-5-7-14(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
- InChI Key： BTJVAHRCUAOIBB-UHFFFAOYSA-N
- SMILES： OC(CCCCCC1C=C(C)C=C(C)C=1)=O
Computed Properties
- Exact Mass: 220.1464
- Monoisotopic Mass: 220.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 203
- 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: 4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzenehexanoic acid, 3,5-dimethyl- Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
62315-36-0 (Benzenehexanoic acid, 3,5-dimethyl-) Related Products
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- 3443-45-6(1-Pyrenebutyric acid)
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- 5581-75-9(6-Phenylhexanoic acid)
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- 1821-12-1(4-Phenylbutyric acid)
- 2270-20-4(5-Phenylvaleric acid)
- 26547-51-3(8-Phenyloctanoic acid)
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