Cas no 670-28-0 (2H-Pyran-2-one, 3-acetyl-4-methoxy-6-methyl-)
670-28-0 structure
Product Name:2H-Pyran-2-one, 3-acetyl-4-methoxy-6-methyl-
CAS No:670-28-0
MF:C9H10O4
MW:182.173303127289
CID:395448
PubChem ID:12403239
Update Time:2025-04-19
2H-Pyran-2-one, 3-acetyl-4-methoxy-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2-one, 3-acetyl-4-methoxy-6-methyl-
- 3-acetyl-4-methoxy-6-methylpyran-2-one
- 670-28-0
- 3-Acetyl-4-methoxy-6-methyl-2H-pyran-2-one
- SCHEMBL6415919
- DTXSID70496572
-
- Inchi： 1S/C9H10O4/c1-5-4-7(12-3)8(6(2)10)9(11)13-5/h4H,1-3H3
- InChI Key： NMCFALGETPQHTR-UHFFFAOYSA-N
- SMILES： O1C(C(C(C)=O)=C(C=C1C)OC)=O
Computed Properties
- Exact Mass: 182.0579
- Monoisotopic Mass: 182.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 323
- 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: 52.6?2
Experimental Properties
- PSA: 52.6
2H-Pyran-2-one, 3-acetyl-4-methoxy-6-methyl- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
670-28-0 (2H-Pyran-2-one, 3-acetyl-4-methoxy-6-methyl-) Related Products
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