Cas no 123442-39-7 (4H-1-Benzopyran-4-one,5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-)
123442-39-7 structure
Product Name:4H-1-Benzopyran-4-one,5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-
CAS No:123442-39-7
MF:C17H14O6
MW:314.289465427399
CID:198972
PubChem ID:129973
Update Time:2025-04-19
4H-1-Benzopyran-4-one,5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4H-1-Benzopyran-4-one,5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-
- 3-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one
- hortensin
- 3-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
- 3-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-one
- 4H-1-Benzopyran-4-one, 3-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-
- CCRIS 8485
- 123442-39-7
- DTXSID80154015
- 3,4'-dihydroxy-6,7-dimethoxyflavone
-
- Inchi： 1S/C17H14O6/c1-21-13-7-11-12(8-14(13)22-2)23-17(16(20)15(11)19)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
- InChI Key： HJNLHRFLGKGWLI-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(=CC=2)O)=C(C(C2C=C(C(=CC1=2)OC)OC)=O)O
Computed Properties
- Exact Mass: 314.07902
- Monoisotopic Mass: 314.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 480
- 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: 2.6
- Topological Polar Surface Area: 85.2?2
Experimental Properties
- Density: 1.424
- Boiling Point: 535.3°Cat760mmHg
- Flash Point: 200.1°C
- Refractive Index: 1.655
- PSA: 85.22
4H-1-Benzopyran-4-one,5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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5. 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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