Cas no 120040-07-5 (6-hydroxy-6-(hydroxymethyl)pyran-3-one)
120040-07-5 structure
Product Name:6-hydroxy-6-(hydroxymethyl)pyran-3-one
CAS No:120040-07-5
MF:C6H8O4
MW:144.125322341919
CID:2616927
PubChem ID:14827350
Update Time:2025-04-21
6-hydroxy-6-(hydroxymethyl)pyran-3-one Chemical and Physical Properties
Names and Identifiers
-
- 6-hydroxy-6-(hydroxymethyl)pyran-3-one
- SCHEMBL26625771
- DTXCID50515230
- 6-Hydroxy-6-(hydroxymethyl)-2H-pyran-3(6H)-one
- DTXSID40564454
- DB-118720
- 120040-07-5
-
- Inchi： 1S/C6H8O4/c7-4-6(9)2-1-5(8)3-10-6/h1-2,7,9H,3-4H2
- InChI Key： RGCSDTXDIBGXMG-UHFFFAOYSA-N
- SMILES： O1CC(C=CC1(CO)O)=O
Computed Properties
- Exact Mass: 144.04225873Da
- Monoisotopic Mass: 144.04225873Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 175
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.4
- Topological Polar Surface Area: 66.8?2
6-hydroxy-6-(hydroxymethyl)pyran-3-one Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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