Cas no 61726-75-8 (2H-1-Benzopyran-2-one, 4-ethoxy-7-hydroxy-5-methyl-)
61726-75-8 structure
Product Name:2H-1-Benzopyran-2-one, 4-ethoxy-7-hydroxy-5-methyl-
CAS No:61726-75-8
MF:C12H12O4
MW:220.221283912659
CID:468321
PubChem ID:71392865
Update Time:2025-04-19
2H-1-Benzopyran-2-one, 4-ethoxy-7-hydroxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one, 4-ethoxy-7-hydroxy-5-methyl-
- 4-ethoxy-7-hydroxy-5-methylchromen-2-one
- DTXSID90814653
- 4-Ethoxy-7-hydroxy-5-methyl-2H-1-benzopyran-2-one
- 61726-75-8
-
- Inchi： 1S/C12H12O4/c1-3-15-9-6-11(14)16-10-5-8(13)4-7(2)12(9)10/h4-6,13H,3H2,1-2H3
- InChI Key： DXHCRWSEJYLAFB-UHFFFAOYSA-N
- SMILES： O1C(C=C(C2=C1C=C(C=C2C)O)OCC)=O
Computed Properties
- Exact Mass: 220.07356
- Monoisotopic Mass: 220.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 310
- 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: 2
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
2H-1-Benzopyran-2-one, 4-ethoxy-7-hydroxy-5-methyl- Related Literature
-
Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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