Cas no 62644-43-3 (3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-butyl-2-methoxy-)
62644-43-3 structure
Product Name:3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-butyl-2-methoxy-
CAS No:62644-43-3
MF:C10H16O4
MW:200.231643676758
CID:436632
PubChem ID:21397338
Update Time:2025-04-19
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-butyl-2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-butyl-2-methoxy-
- 4-butyl-2-methoxy-3,7-dioxabicyclo[4.1.0]heptan-5-one
- Methyl 2,3-anhydro-5-butylpentopyranosid-4-ulose
- DTXSID00613033
- SCHEMBL11761018
- 62644-43-3
-
- Inchi: 1S/C10H16O4/c1-3-4-5-6-7(11)8-9(14-8)10(12-2)13-6/h6,8-10H,3-5H2,1-2H3
- InChI Key: SJDJEIJDOHJHKG-UHFFFAOYSA-N
- SMILES: O1C2C(C(CCCC)OC(C12)OC)=O
Computed Properties
- Exact Mass: 200.10488
- Monoisotopic Mass: 200.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 228
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 48.1?2
Experimental Properties
- PSA: 48.06
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-butyl-2-methoxy- Related Literature
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1. Agricultural
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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