Cas no 2308-51-2 (4H-Pyran-4-one,3,5-dihydroxy-2-(hydroxymethyl)-)
2308-51-2 structure
Product Name:4H-Pyran-4-one,3,5-dihydroxy-2-(hydroxymethyl)-
4H-Pyran-4-one,3,5-dihydroxy-2-(hydroxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-4-one,3,5-dihydroxy-2-(hydroxymethyl)-
- 2308-51-2
- 3-Hydroxykojic acid
- DTXSID70945757
- 3,5-dihydroxy-2-(hydroxymethyl)-4H-pyran-4-one
- 4H-Pyran-4-one, 3,5-dihydroxy-2-(hydroxymethyl)-
- 3-Oxykojic acid
- 3,5-dihydroxy-2-hydroxymethyl-4H-pyran-4-one
- SCHEMBL16431251
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- Inchi： 1S/C6H6O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,7-8,10H,1H2
- InChI Key： JNVNJZNYIRZKLP-UHFFFAOYSA-N
- SMILES： O1C=C(C(C(=C1CO)O)=O)O
Computed Properties
- Exact Mass: 158.02148
- Monoisotopic Mass: 158.022
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 250
- 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: -0.5
- Topological Polar Surface Area: 87?2
Experimental Properties
- Density: 1.815
- Boiling Point: 467°Cat760mmHg
- Flash Point: 206.2°C
- Refractive Index: 1.692
- PSA: 86.99
4H-Pyran-4-one,3,5-dihydroxy-2-(hydroxymethyl)- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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