Cas no 637776-81-9 (1,2,3-Benzenetriol, 5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-)
637776-81-9 structure
Product Name:1,2,3-Benzenetriol, 5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-
CAS No:637776-81-9
MF:C14H12O5
MW:260.242084503174
CID:425747
PubChem ID:71380894
Update Time:2025-04-19
1,2,3-Benzenetriol, 5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Benzenetriol, 5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-
- 5-[2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol
- 637776-81-9
- DTXSID50803381
- 3,4,5,3',4'-pentahydroxystilbene
-
- Inchi: 1S/C14H12O5/c15-10-4-3-8(5-11(10)16)1-2-9-6-12(17)14(19)13(18)7-9/h1-7,15-19H
- InChI Key: NHDCJIRSEKZXEL-UHFFFAOYSA-N
- SMILES: OC1C(=C(C=C(C=1)C=CC1C=CC(=C(C=1)O)O)O)O
Computed Properties
- Exact Mass: 260.06846
- Monoisotopic Mass: 260.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 307
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.4
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 101.15
1,2,3-Benzenetriol, 5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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