Cas no 57052-82-1 (2H-Pyrano[3,2-h][1]benzoxepin, 3,4,6,7,8,9-hexahydro-)
![2H-Pyrano[3,2-h][1]benzoxepin, 3,4,6,7,8,9-hexahydro- structure](https://ossimg.kuujia.com/scimg/57500/57052-82-1x500.png)
57052-82-1 structure
Product Name:2H-Pyrano[3,2-h][1]benzoxepin, 3,4,6,7,8,9-hexahydro-
CAS No:57052-82-1
MF:C13H16O2
MW:204.264944076538
CID:346770
PubChem ID:609172
Update Time:2025-04-19
2H-Pyrano[3,2-h][1]benzoxepin, 3,4,6,7,8,9-hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyrano[3,2-h][1]benzoxepin, 3,4,6,7,8,9-hexahydro-
- 3,4,6,7,8,9-hexahydro-2H-pyrano[3,2-h][1]benzoxepine
- 3,4,6,7,8,9-Hexahydro-2H-oxepino[3,2-g]chromene #
- DTXSID20346053
- 57052-82-1
- Dihydropyranno(3,2-H)homochroman
- COUIJFFOVNSEQX-UHFFFAOYSA-N
-
- Inchi： 1S/C13H16O2/c1-2-6-14-12-9-13-11(5-3-7-15-13)8-10(12)4-1/h8-9H,1-7H2
- InChI Key： COUIJFFOVNSEQX-UHFFFAOYSA-N
- SMILES： O1CCCCC2C=C3C(=CC1=2)OCCC3
Computed Properties
- Exact Mass: 204.11508
- Monoisotopic Mass: 204.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 217
- 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: 3
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
2H-Pyrano[3,2-h][1]benzoxepin, 3,4,6,7,8,9-hexahydro- Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
57052-82-1 (2H-Pyrano[3,2-h][1]benzoxepin, 3,4,6,7,8,9-hexahydro-) Related Products
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