Cas no 158205-36-8 (4H-Pyran-3-carboxylicacid, 6-methyl-4-oxo-)
158205-36-8 structure
Product Name:4H-Pyran-3-carboxylicacid, 6-methyl-4-oxo-
CAS No:158205-36-8
MF:C7H6O4
MW:154.120142459869
CID:108046
PubChem ID:45084802
Update Time:2025-04-18
4H-Pyran-3-carboxylicacid, 6-methyl-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-3-carboxylicacid, 6-methyl-4-oxo-
- 6-methyl-4-oxopyran-3-carboxylic acid
- 4H-Pyran-3-carboxylicacid,6-methyl-4-oxo-(9CI)
- DTXSID00665714
- 6-Methyl-4-oxo-4H-pyran-3-carboxylic acid
- 158205-36-8
-
- Inchi： 1S/C7H6O4/c1-4-2-6(8)5(3-11-4)7(9)10/h2-3H,1H3,(H,9,10)
- InChI Key： JAGJLAZOEUICNT-UHFFFAOYSA-N
- SMILES： O1C=C(C(=O)O)C(C=C1C)=O
Computed Properties
- Exact Mass: 154.02658
- Monoisotopic Mass: 154.027
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 272
- 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
- Topological Polar Surface Area: 63.6A^2
- XLogP3: 0.8
Experimental Properties
- PSA: 63.6
4H-Pyran-3-carboxylicacid, 6-methyl-4-oxo- Related Literature
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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