Cas no 36566-94-6 (Penta-1,3-dien-1-one)
Penta-1,3-dien-1-one structure
Product Name:Penta-1,3-dien-1-one
CAS No:36566-94-6
MF:C5H6O
MW:82.1005415916443
CID:2824220
PubChem ID:53864854
Update Time:2024-03-01
Penta-1,3-dien-1-one Chemical and Physical Properties
Names and Identifiers
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- Penta-1,3-dien-1-one
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- Inchi： 1S/C5H6O/c1-2-3-4-5-6/h2-4H,1H3
- InChI Key： GYZMAAQHNCDTQP-UHFFFAOYSA-N
- SMILES： O=C=CC=CC
Computed Properties
- Exact Mass: 82.041864811g/mol
- Monoisotopic Mass: 82.041864811g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 86.1
- 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: 1.7
- Topological Polar Surface Area: 17.1
Penta-1,3-dien-1-one Related Literature
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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