Cas no 24382-05-6 (1,3-Benzodioxole, 5-phenyl-)
1,3-Benzodioxole, 5-phenyl- structure
Product Name:1,3-Benzodioxole, 5-phenyl-
CAS No:24382-05-6
MF:C13H10O2
MW:198.217303752899
CID:1417071
PubChem ID:15486596
Update Time:2025-04-20
1,3-Benzodioxole, 5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole, 5-phenyl-
- 5-phenyl-1,3-benzodioxole
- AKOS006320849
- 24382-05-6
- SCHEMBL404584
- 5-Phenyl-2H-1,3-benzodioxole
- DTXSID10573230
-
- Inchi： 1S/C13H10O2/c1-2-4-10(5-3-1)11-6-7-12-13(8-11)15-9-14-12/h1-8H,9H2
- InChI Key： UXRKFHHUQLJTPC-UHFFFAOYSA-N
- SMILES： O1COC2C=CC(C3C=CC=CC=3)=CC1=2
Computed Properties
- Exact Mass: 198.0681
- Monoisotopic Mass: 198.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 211
- 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: 3.6
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
1,3-Benzodioxole, 5-phenyl- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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5. 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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