Cas no 188677-56-7 (3-Hepten-2-one,4-hydroxy-)
3-Hepten-2-one,4-hydroxy- structure
Product Name:3-Hepten-2-one,4-hydroxy-
CAS No:188677-56-7
MF:C7H12O2
MW:128.168982505798
CID:115341
PubChem ID:4102220
Update Time:2025-04-18
3-Hepten-2-one,4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hepten-2-one,4-hydroxy-
- 3-Hepten-2-one, 4-hydroxy- (9CI)
- 3-Hepten-2-one,4-hydroxy-(9ci)
- 4-hydroxyhept-3-en-2-one
- 188677-56-7
-
- Inchi： 1S/C7H12O2/c1-3-4-7(9)5-6(2)8/h5,9H,3-4H2,1-2H3
- InChI Key： PWQOIZZJCSSHEV-UHFFFAOYSA-N
- SMILES： OC(=CC(C)=O)CCC
Computed Properties
- Exact Mass: 128.08376
- Monoisotopic Mass: 128.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 125
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
3-Hepten-2-one,4-hydroxy- 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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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