Cas no 525600-93-5 (4H-1,3-Dioxin-4-one, 2-(hydroxymethyl)-2,6-dimethyl- (9CI))
525600-93-5 structure
Product Name:4H-1,3-Dioxin-4-one, 2-(hydroxymethyl)-2,6-dimethyl- (9CI)
CAS No:525600-93-5
MF:C7H10O4
MW:158.151902675629
CID:1021058
PubChem ID:21576602
Update Time:2025-04-20
4H-1,3-Dioxin-4-one, 2-(hydroxymethyl)-2,6-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4H-1,3-Dioxin-4-one, 2-(hydroxymethyl)-2,6-dimethyl- (9CI)
- 2-(hydroxymethyl)-2,6-dimethyl-1,3-dioxin-4-one
- 2-(Hydroxymethyl)-2,6-dimethyl-2H,4H-1,3-dioxin-4-one
- DTXSID10616015
- 4H-1,3-Dioxin-4-one, 2-(hydroxymethyl)-2,6-dimethyl-
- 525600-93-5
- DB-324999
- InChI=1/C7H10O4/c1-5-3-6(9)11-7(2,4-8)10-5/h3,8H,4H2,1-2H3
- OSIVAJFKHGFGAU-UHFFFAOYSA-
-
- Inchi： 1S/C7H10O4/c1-5-3-6(9)11-7(2,4-8)10-5/h3,8H,4H2,1-2H3
- InChI Key： OSIVAJFKHGFGAU-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(=O)OC1(C)CO
Computed Properties
- Exact Mass: 158.05790880g/mol
- Monoisotopic Mass: 158.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 209
- 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: 55.8?2
4H-1,3-Dioxin-4-one, 2-(hydroxymethyl)-2,6-dimethyl- (9CI) Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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