Cas no 741261-06-3 (2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-5-(3-methyl-2-butenyl)-)
741261-06-3 structure
Product Name:2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-5-(3-methyl-2-butenyl)-
CAS No:741261-06-3
MF:C15H16O4
MW:260.285144805908
CID:541538
PubChem ID:12144100
Update Time:2025-04-19
2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-5-(3-methyl-2-butenyl)- Chemical and Physical Properties
Names and Identifiers
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- 2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-5-(3-methyl-2-butenyl)-
- 6-hydroxy-7-methoxy-5-(3-methylbut-2-enyl)chromen-2-one
- 741261-06-3
- DTXSID40478507
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- Inchi： 1S/C15H16O4/c1-9(2)4-5-11-10-6-7-14(16)19-12(10)8-13(18-3)15(11)17/h4,6-8,17H,5H2,1-3H3
- InChI Key： DAARURPOCNTVJM-UHFFFAOYSA-N
- SMILES： O1C(C=CC2=C1C=C(C(=C2C/C=C(\C)/C)O)OC)=O
Computed Properties
- Exact Mass: 260.10485899g/mol
- Monoisotopic Mass: 260.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 395
- 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: 3.5
- Topological Polar Surface Area: 55.8?2
2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-5-(3-methyl-2-butenyl)- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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4. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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