Cas no 62644-32-0 (3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-methyl-2-(1-methylethoxy)-)
![3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-methyl-2-(1-methylethoxy)- structure](https://ossimg.kuujia.com/scimg/63000/62644-32-0x500.png)
62644-32-0 structure
Product Name:3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-methyl-2-(1-methylethoxy)-
CAS No:62644-32-0
MF:C9H14O4
MW:186.205063343048
CID:436643
PubChem ID:21397325
Update Time:2025-04-19
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-methyl-2-(1-methylethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-methyl-2-(1-methylethoxy)-
- 4-methyl-2-propan-2-yloxy-3,7-dioxabicyclo[4.1.0]heptan-5-one
- DTXSID50613023
- Propan-2-yl 2,3-anhydro-6-deoxyhexopyranosid-4-ulose
- 62644-32-0
- SCHEMBL11760976
-
- Inchi： 1S/C9H14O4/c1-4(2)11-9-8-7(13-8)6(10)5(3)12-9/h4-5,7-9H,1-3H3
- InChI Key： PMLAPEXVPGZDNG-UHFFFAOYSA-N
- SMILES： O1C2C(C(C)OC(C12)OC(C)C)=O
Computed Properties
- Exact Mass: 186.08922
- Monoisotopic Mass: 186.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 226
- 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: 0.7
- Topological Polar Surface Area: 48.1?2
Experimental Properties
- PSA: 48.06
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 4-methyl-2-(1-methylethoxy)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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