Cas no 121781-36-0 (2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone)
121781-36-0 structure
Product Name:2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
CAS No:121781-36-0
MF:C17H16O6
MW:316.305345535278
CID:2015622
PubChem ID:14261270
Update Time:2025-04-21
2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone Chemical and Physical Properties
Names and Identifiers
-
- 2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
- 2',4'-dihydroxy-6-methoxy-3,4-methylenedioxydihydrochalcone
- 3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-6-methoxyphenyl)propan-1-one
- 121781-36-0
- LMPK12120540
- CHEMBL403150
-
- Inchi： 1S/C17H16O6/c1-21-16-8-11(18)7-13(20)17(16)12(19)4-2-10-3-5-14-15(6-10)23-9-22-14/h3,5-8,18,20H,2,4,9H2,1H3
- InChI Key： IHHOUZQOMVPTMQ-UHFFFAOYSA-N
- SMILES： COC1C(C(CCC2C=C3C(OCO3)=CC=2)=O)=C(O)C=C(O)C=1
Computed Properties
- Exact Mass: 316.09468823Da
- Monoisotopic Mass: 316.09468823Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 414
- 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: 1.704
- Topological Polar Surface Area: 85.2?2
2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids 2'-Hydroxy-dihydrochalcones
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Chalcones and dihydrochalcones 2'-Hydroxy-dihydrochalcones
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