Cas no 1506-67-8 (4H-Pyran-4-one,3-hydroxy-6-(hydroxymethyl)-2-methyl-)
1506-67-8 structure
Product Name:4H-Pyran-4-one,3-hydroxy-6-(hydroxymethyl)-2-methyl-
4H-Pyran-4-one,3-hydroxy-6-(hydroxymethyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-4-one,3-hydroxy-6-(hydroxymethyl)-2-methyl-
- 3-hydroxy-6-(hydroxymethyl)-2-methylpyran-4-one
- 3-hydroxy-6-hydroxymethy-2-methyl-pyran-4(1H)-one
- 3-hydroxy-6-hydroxymethyl-2-methyl-pyran-4-one
- 6-Methyl-5-hydroxy-2-hydroxymethyl-4-pyrone
- 6-Methyl-kojisaeure
- AC1L3YDO
- AC1Q6BXL
- AR-1G2539
- CTK8D4433
- NSC118844
- DTXSID10164581
- 6-Methylkojic acid
- SMOQZWPZQZGNRU-UHFFFAOYSA-N
- SCHEMBL3555239
- 4H-Pyran-4-one, 3-hydroxy-6-(hydroxymethyl)-2-methyl-
- UNII-SR14DL0UP5
- SR14DL0UP5
- 3-hydroxy-6-(hydroxymethyl)-2-methyl-4h-pyran-4-one
- SCHEMBL4752758
- NSC 118844
- NSC-118844
- 1506-67-8
-
- Inchi： 1S/C7H8O4/c1-4-7(10)6(9)2-5(3-8)11-4/h2,8,10H,3H2,1H3
- InChI Key： SMOQZWPZQZGNRU-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C=C1CO)=O)O
Computed Properties
- Exact Mass: 156.04224
- Monoisotopic Mass: 156.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 249
- 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: 66.8?2
Experimental Properties
- Density: 1.418
- Boiling Point: 385.3°C at 760 mmHg
- Flash Point: 167.4°C
- Refractive Index: 1.577
- PSA: 66.76
- LogP: 0.14610
4H-Pyran-4-one,3-hydroxy-6-(hydroxymethyl)-2-methyl- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
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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