Cas no 62644-31-9 (3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-hydroxy-4-methyl-)
![3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-hydroxy-4-methyl- structure](https://ossimg.kuujia.com/scimg/63000/62644-31-9x500.png)
62644-31-9 structure
Product Name:3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-hydroxy-4-methyl-
CAS No:62644-31-9
MF:C6H8O4
MW:144.125322341919
CID:436644
PubChem ID:21397341
Update Time:2025-04-19
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-hydroxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-hydroxy-4-methyl-
- 2-hydroxy-4-methyl-3,7-dioxabicyclo[4.1.0]heptan-5-one
- SCHEMBL11758772
- 62644-31-9
- 2,3-Anhydro-6-deoxyhexopyranos-4-ulose
- DTXSID20613035
-
- Inchi： 1S/C6H8O4/c1-2-3(7)4-5(10-4)6(8)9-2/h2,4-6,8H,1H3
- InChI Key： CTXWEZMUHDMKTC-UHFFFAOYSA-N
- SMILES： O1C2C(C(C)OC(C12)O)=O
Computed Properties
- Exact Mass: 144.04224
- Monoisotopic Mass: 144.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 179
- 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: 59.1?2
Experimental Properties
- PSA: 59.06
3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-hydroxy-4-methyl- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
62644-31-9 (3,7-Dioxabicyclo[4.1.0]heptan-5-one, 2-hydroxy-4-methyl-) Related Products
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