Cas no 38711-17-0 (2H-1-Benzopyran-2-one, 3-(2-oxopropyl)-)
38711-17-0 structure
Product Name:2H-1-Benzopyran-2-one, 3-(2-oxopropyl)-
CAS No:38711-17-0
MF:C12H10O3
MW:202.206003665924
CID:1490869
Update Time:2024-08-24
2H-1-Benzopyran-2-one, 3-(2-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one, 3-(2-oxopropyl)-
- 3-(2-oxopropyl)chromen-2-one
-
- Inchi： 1S/C12H10O3/c1-8(13)6-10-7-9-4-2-3-5-11(9)15-12(10)14/h2-5,7H,6H2,1H3
- InChI Key： DKBZNUVHFQBCPD-UHFFFAOYSA-N
- SMILES： C1(=O)OC2=CC=CC=C2C=C1CC(=O)C
Computed Properties
- Exact Mass: 202.063
- Monoisotopic Mass: 202.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 317
- 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
Experimental Properties
- Density: 1.216±0.06 g/cm3(Predicted)
- Melting Point: 97-98 °C
- Boiling Point: 366.5±30.0 °C(Predicted)
- PSA: 43.37
2H-1-Benzopyran-2-one, 3-(2-oxopropyl)- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
38711-17-0 (2H-1-Benzopyran-2-one, 3-(2-oxopropyl)-) Related Products
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