Cas no 1522-20-9 (3-Penten-2-one,4-hydroxy-)
3-Penten-2-one,4-hydroxy- structure
Product Name:3-Penten-2-one,4-hydroxy-
3-Penten-2-one,4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Penten-2-one,4-hydroxy-
- 4-Hydroxypent-3-en-2-one
- (Z)-4-hydroxypent-3-en-2-one
- 3-penten-2-one, 4-hydroxy-, (3Z)-
- SCHEMBL3247
- (z)-4-hydroxy-3-penten-2-one
- 3-Penten-2-one, 4-hydroxy-
- (3Z)-4-hydroxy-3-penten-2-one
- 1522-20-9
- (3Z)-4-hydroxypent-3-en-2-one
- Z-2-Pentene-4-one-2-ol
- CHEBI:131370
- InChI=1/C5H8O2/c1-4(6)3-5(2)7/h3,6H,1-2H3/b4-3
-
- Inchi： 1S/C5H8O2/c1-4(6)3-5(2)7/h3,6H,1-2H3/b4-3-
- InChI Key： POILWHVDKZOXJZ-ARJAWSKDSA-N
- SMILES： O/C(/C)=C\C(C)=O
Computed Properties
- Exact Mass: 100.05244
- Monoisotopic Mass: 100.05243
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 103
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3
- XLogP3: 0.8
Experimental Properties
- Density: 1.01
- Boiling Point: 187.6°C at 760 mmHg
- Flash Point: 71.9°C
- Refractive Index: 1.45
- PSA: 37.3
3-Penten-2-one,4-hydroxy- Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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