Cas no 326474-02-6 (3,5-Dimethoxy-3-(1,1-dimethylprop-2-enyl)-3,4-dihydropsoralen-4-one)
326474-02-6 structure
Product Name:3,5-Dimethoxy-3-(1,1-dimethylprop-2-enyl)-3,4-dihydropsoralen-4-one
CAS No:326474-02-6
MF:C18H18O6
MW:330.331925868988
CID:6768402
Update Time:2024-03-03
3,5-Dimethoxy-3-(1,1-dimethylprop-2-enyl)-3,4-dihydropsoralen-4-one Chemical and Physical Properties
Names and Identifiers
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- 3,5-Dimethoxy-3-(1,1-dimethylprop-2-enyl)-3,4-dihydropsoralen-4-one
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- Inchi： 1S/C18H18O6/c1-6-17(2,3)18(22-5)15(19)13-12(24-16(18)20)9-11-10(7-8-23-11)14(13)21-4/h6-9H,1H2,2-5H3/t18-/m0/s1
- InChI Key： GJIFITGETLKYQN-SFHVURJKSA-N
- SMILES： C12C=COC1=CC1OC(=O)[C@](OC)(C(C)(C)C=C)C(=O)C=1C=2OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- XLogP3: 1.625
3,5-Dimethoxy-3-(1,1-dimethylprop-2-enyl)-3,4-dihydropsoralen-4-one Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Coumarins and derivatives Linear furanocoumarins
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Linear furanocoumarins
- Natural Products and Extracts Plant Extracts Plant based Halfordia kendack
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