Cas no 61234-44-4 (Methanone, (2,4-dihydroxyphenyl)(2,5-dihydroxyphenyl)-)
61234-44-4 structure
Product Name:Methanone, (2,4-dihydroxyphenyl)(2,5-dihydroxyphenyl)-
CAS No:61234-44-4
MF:C13H10O5
MW:246.215504169464
CID:487527
PubChem ID:22493734
Update Time:2025-04-19
Methanone, (2,4-dihydroxyphenyl)(2,5-dihydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (2,4-dihydroxyphenyl)(2,5-dihydroxyphenyl)-
- (2,4-dihydroxyphenyl)-(2,5-dihydroxyphenyl)methanone
- SCHEMBL6381759
- (2,4-dihydroxyphenyl)(2,5-dihydroxyphenyl)methanone
- DTXSID40626167
- 61234-44-4
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- Inchi： 1S/C13H10O5/c14-7-2-4-11(16)10(5-7)13(18)9-3-1-8(15)6-12(9)17/h1-6,14-17H
- InChI Key： NSCSXVGMMHBAEK-UHFFFAOYSA-N
- SMILES： OC1C=C(C=CC=1C(C1C=C(C=CC=1O)O)=O)O
Computed Properties
- Exact Mass: 246.0528
- Monoisotopic Mass: 246.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 306
- 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: 2.2
- Topological Polar Surface Area: 98?2
Experimental Properties
- PSA: 97.99
Methanone, (2,4-dihydroxyphenyl)(2,5-dihydroxyphenyl)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
61234-44-4 (Methanone, (2,4-dihydroxyphenyl)(2,5-dihydroxyphenyl)-) Related Products
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