Cas no 85328-86-5 (2H-1-Benzopyran-2-one, 7-ethoxy-6-hydroxy-)
85328-86-5 structure
Product Name:2H-1-Benzopyran-2-one, 7-ethoxy-6-hydroxy-
CAS No:85328-86-5
MF:C11H10O4
MW:206.194703578949
CID:664608
PubChem ID:13031686
Update Time:2024-03-02
2H-1-Benzopyran-2-one, 7-ethoxy-6-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one, 7-ethoxy-6-hydroxy-
- 7-ethoxy-6-hydroxychromen-2-one
-
- Inchi： 1S/C11H10O4/c1-2-14-10-6-9-7(5-8(10)12)3-4-11(13)15-9/h3-6,12H,2H2,1H3
- InChI Key： OCCRKOWLAVGGOA-UHFFFAOYSA-N
- SMILES： C1(=O)OC2=CC(OCC)=C(O)C=C2C=C1
Computed Properties
- Exact Mass: 206.05790880g/mol
- Monoisotopic Mass: 206.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 274
- 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: 1.9
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Density: 1.321±0.06 g/cm3(Predicted)
- Boiling Point: 416.6±45.0 °C(Predicted)
- pka: 9.07±0.20(Predicted)
2H-1-Benzopyran-2-one, 7-ethoxy-6-hydroxy- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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