Cas no 69186-21-6 (5-(3-Hydroxypropyl)oxolan-2-one)
69186-21-6 structure
Product Name:5-(3-Hydroxypropyl)oxolan-2-one
CAS No:69186-21-6
MF:C7H12O3
MW:144.168382644653
CID:2799220
PubChem ID:13509473
Update Time:2025-04-21
5-(3-Hydroxypropyl)oxolan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 5-(3-HYDROXYPROPYL)OXOLAN-2-ONE
- DTXSID60542572
- SCHEMBL864461
- 69186-21-6
- 5-(3-Hydroxypropyl)oxolan-2-one
-
- Inchi： 1S/C7H12O3/c8-5-1-2-6-3-4-7(9)10-6/h6,8H,1-5H2
- InChI Key： FHHGKUDFWJKVJR-UHFFFAOYSA-N
- SMILES： O1C(CCC1CCCO)=O
Computed Properties
- Exact Mass: 144.078644241g/mol
- Monoisotopic Mass: 144.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 122
- 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: -0.1
- Topological Polar Surface Area: 46.5?2
5-(3-Hydroxypropyl)oxolan-2-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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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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