Cas no 62946-58-1 (2-Butanone, 1,4-dihydroxy-3-methyl-)
62946-58-1 structure
Product Name:2-Butanone, 1,4-dihydroxy-3-methyl-
CAS No:62946-58-1
MF:C5H10O3
MW:118.131102085114
CID:428442
PubChem ID:71381729
Update Time:2025-04-19
2-Butanone, 1,4-dihydroxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 1,4-dihydroxy-3-methyl-
- 1,4-dihydroxy-3-methylbutan-2-one
- SCHEMBL7030509
- 62946-58-1
- DTXSID90804155
-
- Inchi： 1S/C5H10O3/c1-4(2-6)5(8)3-7/h4,6-7H,2-3H2,1H3
- InChI Key： PLVCXNLHUHTLCR-UHFFFAOYSA-N
- SMILES： OCC(C)C(CO)=O
Computed Properties
- Exact Mass: 118.063
- Monoisotopic Mass: 118.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 79.7
- 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: -0.9
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
2-Butanone, 1,4-dihydroxy-3-methyl- Related Literature
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
62946-58-1 (2-Butanone, 1,4-dihydroxy-3-methyl-) Related Products
- 3393-64-4(4-Hydroxy-3-methyl-2-butanone)
- 36960-22-2(1-hydroxy-3-methylbutan-2-one)
- 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)
Recommended suppliers
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
