Cas no 7641-03-4 (2-Pentanone, 3-(hydroxymethyl)-4-methyl-)
7641-03-4 structure
Product Name:2-Pentanone, 3-(hydroxymethyl)-4-methyl-
CAS No:7641-03-4
MF:C7H14O2
MW:130.184862613678
CID:537843
PubChem ID:18738789
Update Time:2025-04-19
2-Pentanone, 3-(hydroxymethyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone, 3-(hydroxymethyl)-4-methyl-
- 3-(Hydroxymethyl)-4-methylpentan-2-one
- DTXSID60595907
- 7641-03-4
- SCHEMBL13686365
-
- Inchi： 1S/C7H14O2/c1-5(2)7(4-8)6(3)9/h5,7-8H,4H2,1-3H3
- InChI Key： JKAUXMVGNWSOSQ-UHFFFAOYSA-N
- SMILES： OCC(C(C)=O)C(C)C
Computed Properties
- Exact Mass: 130.09942
- Monoisotopic Mass: 130.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 97.1
- 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: 0.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Pentanone, 3-(hydroxymethyl)-4-methyl- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
7641-03-4 (2-Pentanone, 3-(hydroxymethyl)-4-methyl-) Related Products
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- 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)
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