Cas no 5617-75-4 ()
structure
Product Name:
CAS No:5617-75-4
MF:C5H10O2
MW:102.131701946259
CID:6686107
PubChem ID:14236864
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi: 1S/C5H10O2/c6-2-4-1-5(4)3-7/h4-7H,1-3H2
- InChI Key: SWXDNKVUVKMURJ-UHFFFAOYSA-N
- SMILES: OCC1CC1CO
Computed Properties
- Exact Mass: 102.068079557g/mol
- Monoisotopic Mass: 102.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 55.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 40.5?2
Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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