Cas no 123769-56-2 (Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-hydroxyphenyl)-)
123769-56-2 structure
Product Name:Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-hydroxyphenyl)-
CAS No:123769-56-2
MF:C16H14O4
MW:270.279964923859
CID:200418
PubChem ID:3078985
Update Time:2025-04-19
Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-hydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-hydroxyphenyl)-
- 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-hydroxyphenyl)methanone
- BRN 3621178
- 123769-56-2
- DTXSID10154083
- 7-(p-Hydroxybenzoyl)-1,5-benzodioxepane
- Methanone, (3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-hydroxyphenyl)-
- (3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)(4-hydroxyphenyl)methanone
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- Inchi： 1S/C16H14O4/c17-13-5-2-11(3-6-13)16(18)12-4-7-14-15(10-12)20-9-1-8-19-14/h2-7,10,17H,1,8-9H2
- InChI Key： XPMNVUCLVOVIQR-UHFFFAOYSA-N
- SMILES： O1C2C=C(C(C3C=CC(=CC=3)O)=O)C=CC=2OCCC1
Computed Properties
- Exact Mass: 270.08922
- Monoisotopic Mass: 270.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 335
- 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: 55.8?2
Experimental Properties
- Density: 1.271
- Boiling Point: 474.2°C at 760 mmHg
- Flash Point: 180.1°C
- Refractive Index: 1.605
- PSA: 55.76
Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)(4-hydroxyphenyl)- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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