Cas no 13544-51-9 (1-Benzopyrylium,5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-, chloride (9CI))
13544-51-9 structure
Product Name:1-Benzopyrylium,5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-, chloride (9CI)
CAS No:13544-51-9
MF:C17H15ClO5
MW:334.751004457474
CID:232522
PubChem ID:24187157
Update Time:2025-04-19
1-Benzopyrylium,5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-, chloride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Benzopyrylium,5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-, chloride (9CI)
- 3-methoxy-2-(4-methoxyphenyl)-7H-chromene-5,7-diol
- 5,7-dihydroxy-3,4'-dimethoxyfl
- 5,7-Dihydroxy-3,4'-dimethoxyflavyliumchloride (7CI)
- 5,7-Dihydroxy-3-methoxy-2-(4-methoxy-phenyl)-chromenylium, Chlorid
- 5,7-dihydroxy-3-methoxy-2-(4-methoxy-phenyl)-chromenylium, chloride
- AC1L97U3
- AG-D-72465
- CTK4B9819
- Flavylium, 5,7-dihydroxy-3,4'-dimethoxy-, chloride (8CI)
- NSC60170
- Pelargonidinchlorid-3.4'-dimethylaether
- FLAVYLIUM 5,4'-DIMETHOXY-CHLORIDE
- 3-methoxy-2-(4-methoxyphenyl)chromenylium-5,7-diol;chloride
- 13544-51-9
- NSC-60170
-
- Inchi: 1S/C17H14O5.ClH/c1-20-12-5-3-10(4-6-12)17-16(21-2)9-13-14(19)7-11(18)8-15(13)22-17;/h3-9H,1-2H3,(H-,18,19);1H
- InChI Key: WQVOXGUSVPUJDM-UHFFFAOYSA-N
- SMILES: [Cl-].[O+]1C2C=C(C=C(C=2C=C(C=1C1C=CC(=CC=1)OC)OC)O)O
Computed Properties
- Exact Mass: 300.09978
- Monoisotopic Mass: 334.060801
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 355
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 59.9
Experimental Properties
- Density: 1.37
- Boiling Point: 559.9°Cat760mmHg
- Flash Point: 292.4°C
- Refractive Index: 1.655
- PSA: 68.15
- LogP: 0.81330
1-Benzopyrylium,5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-, chloride (9CI) Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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