Cas no 131123-56-3 (3,6-bis(hydroxymethyl)-2-methyl-pyran-4-one)
131123-56-3 structure
Product Name:3,6-bis(hydroxymethyl)-2-methyl-pyran-4-one
CAS No:131123-56-3
MF:C8H10O4
MW:170.162602901459
CID:201095
PubChem ID:131340
Update Time:2025-04-19
3,6-bis(hydroxymethyl)-2-methyl-pyran-4-one Chemical and Physical Properties
Names and Identifiers
-
- 3,6-bis(hydroxymethyl)-2-methyl-pyran-4-one
- 3,6-bis(hydroxymethyl)-2-methylpyran-4-one
- herierin III
- 3,6-bis(hydroxymethyl)-2-methyl-4H-pyran-4-one
- 4H-Pyran-4-one, 3,6-bis(hydroxymethyl)-2-methyl-
- 6-Methyl-2,5-dihydroxymethyl-gamma pyranone
- DTXSID10156906
- 6-Methyl-2,5-dihydroxymethyl-gamma-pyranone III
- CHEBI:173779
- 131123-56-3
-
- Inchi： 1S/C8H10O4/c1-5-7(4-10)8(11)2-6(3-9)12-5/h2,9-10H,3-4H2,1H3
- InChI Key： FEEAMUNPZANTSE-UHFFFAOYSA-N
- SMILES： O1C(CO)=CC(C(CO)=C1C)=O
Computed Properties
- Exact Mass: 170.0579
- Monoisotopic Mass: 170.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 262
- 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: -0.7
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
3,6-bis(hydroxymethyl)-2-methyl-pyran-4-one Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
131123-56-3 (3,6-bis(hydroxymethyl)-2-methyl-pyran-4-one) Related Products
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