Cas no 87532-11-4 (2H-Pyran-2-one, 3-(benzoyloxy)tetrahydro-)
87532-11-4 structure
Product Name:2H-Pyran-2-one, 3-(benzoyloxy)tetrahydro-
CAS No:87532-11-4
MF:C12H12O4
MW:220.221283912659
CID:655328
PubChem ID:13122644
Update Time:2025-04-19
2H-Pyran-2-one, 3-(benzoyloxy)tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2-one, 3-(benzoyloxy)tetrahydro-
- (2-oxooxan-3-yl) benzoate
- 2-Oxooxan-3-yl benzoate
- 87532-11-4
- DTXSID80519600
-
- Inchi： 1S/C12H12O4/c13-11(9-5-2-1-3-6-9)16-10-7-4-8-15-12(10)14/h1-3,5-6,10H,4,7-8H2
- InChI Key： AHMIQXMNMGNIAT-UHFFFAOYSA-N
- SMILES： O1C(C(CCC1)OC(C1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 220.07355886g/mol
- Monoisotopic Mass: 220.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 268
- 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: 2.2
- Topological Polar Surface Area: 52.6?2
2H-Pyran-2-one, 3-(benzoyloxy)tetrahydro- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
87532-11-4 (2H-Pyran-2-one, 3-(benzoyloxy)tetrahydro-) Related Products
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