Cas no 4385-59-5 (1-methyl-1,4-dihydro-3H-isochromen-3-one)
4385-59-5 structure
Product Name:1-methyl-1,4-dihydro-3H-isochromen-3-one
CAS No:4385-59-5
MF:C10H10O2
MW:162.185203075409
CID:1515964
PubChem ID:199549
Update Time:2025-04-21
1-methyl-1,4-dihydro-3H-isochromen-3-one Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-1,4-dihydro-3H-isochromen-3-one
- 1-methyl-1,4-dihydroisochromen-3-one
- 1-Methyl-1,4-dihydro-3H-2-benzopyran-3-one
- DTXSID80963129
- 4385-59-5
- 1-Methyl-3-isochromanone
- BRN 4390320
- 1,4-Dihydro-1-methyl-3H-2-benzopyran-3-one
- 3H-2-Benzopyran-3-one, 1,4-dihydro-1-methyl-
- SCHEMBL2690138
-
- Inchi： 1S/C10H10O2/c1-7-9-5-3-2-4-8(9)6-10(11)12-7/h2-5,7H,6H2,1H3
- InChI Key： WKHHBFNFYXCOPO-UHFFFAOYSA-N
- SMILES： O1C(CC2C=CC=CC=2C1C)=O
Computed Properties
- Exact Mass: 162.0681
- Monoisotopic Mass: 162.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 188
- 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: 1.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
1-methyl-1,4-dihydro-3H-isochromen-3-one Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
4385-59-5 (1-methyl-1,4-dihydro-3H-isochromen-3-one) Related Products
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