Cas no 52642-66-7 (3-Buten-2-one, 1-hydroxy-)
3-Buten-2-one, 1-hydroxy- structure
Product Name:3-Buten-2-one, 1-hydroxy-
CAS No:52642-66-7
MF:C4H6O2
MW:86.0892415046692
CID:359193
PubChem ID:12369703
Update Time:2025-04-19
3-Buten-2-one, 1-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one, 1-hydroxy-
- 1-hydroxybut-3-en-2-one
- DTXSID10494754
- LHBQGXZUVXFJRH-UHFFFAOYSA-N
- Vinylidenglykol
- 52642-66-7
- hydroxymethylvinyl ketone
- FT-0700954
-
- Inchi: 1S/C4H6O2/c1-2-4(6)3-5/h2,5H,1,3H2
- InChI Key: LHBQGXZUVXFJRH-UHFFFAOYSA-N
- SMILES: OCC(C=C)=O
Computed Properties
- Exact Mass: 86.03678
- Monoisotopic Mass: 86.036779430g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 65.9
- 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: -0.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
3-Buten-2-one, 1-hydroxy- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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