Cas no 5626-76-6 (1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybutan-1-one)
5626-76-6 structure
Product Name:1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybutan-1-one
CAS No:5626-76-6
MF:C12H14O4
MW:222.237164020538
CID:1598024
PubChem ID:2856618
Update Time:2025-04-21
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybutan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybutan-1-one
- 1-butanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-
- DTXSID60386256
- SR-01000215157
- Oprea1_615412
- BIM-0000334.P001
- HMS2500F24
- MLS000533111
- 5626-76-6
- CHEMBL1451536
- STK321194
- SR-01000215157-1
- Cambridge id 5626766
- SMSF0006524
- 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-1-butanone
- CB01562
- AJ-145/37035005
- SMR000140549
- CBMicro_000369
- AKOS003377245
-
- Inchi： 1S/C12H14O4/c13-5-1-2-10(14)9-3-4-11-12(8-9)16-7-6-15-11/h3-4,8,13H,1-2,5-7H2
- InChI Key： NHAYVRIFRAFESU-UHFFFAOYSA-N
- SMILES： O1CCOC2C=CC(=CC1=2)C(CCCO)=O
Computed Properties
- Exact Mass: 222.08922
- Monoisotopic Mass: 222.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 241
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Density: 1.231
- Boiling Point: 421.5°C at 760 mmHg
- Flash Point: 166.2°C
- Refractive Index: 1.554
- PSA: 55.76
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybutan-1-one 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
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
5626-76-6 (1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybutan-1-one) Related Products
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