Cas no 80246-73-7 (Hexanoic acid, 4,5-dimethyl-, ethyl ester)
80246-73-7 structure
Product Name:Hexanoic acid, 4,5-dimethyl-, ethyl ester
CAS No:80246-73-7
MF:C10H20O2
MW:172.264603614807
CID:4193378
PubChem ID:10329772
Update Time:2025-04-24
Hexanoic acid, 4,5-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 4,5-dimethyl-, ethyl ester
- SCHEMBL8102824
- DTXSID501272958
- 80246-73-7
-
- Inchi： 1S/C10H20O2/c1-5-12-10(11)7-6-9(4)8(2)3/h8-9H,5-7H2,1-4H3
- InChI Key： KXNDAVGMGPYUEH-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)CCC(C)C(C)C
Computed Properties
- Exact Mass: 172.146329876Da
- Monoisotopic Mass: 172.146329876Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 130
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 26.3?2
Hexanoic acid, 4,5-dimethyl-, ethyl ester Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
80246-73-7 (Hexanoic acid, 4,5-dimethyl-, ethyl ester) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
