Cas no 50463-29-1 (Ethanone,1,2-bis(1,3-benzodioxol-5-yl)-)
50463-29-1 structure
Product Name:Ethanone,1,2-bis(1,3-benzodioxol-5-yl)-
CAS No:50463-29-1
MF:C16H12O5
MW:284.263484954834
CID:383687
PubChem ID:231157
Update Time:2025-04-19
Ethanone,1,2-bis(1,3-benzodioxol-5-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1,2-bis(1,3-benzodioxol-5-yl)-
- 1,2-bis(1,3-benzodioxol-5-yl)ethanone
- 3,4,3',4'-Bis-methylendioxy-desoxybenzoin
- 3,4,3',4'-bis-methylenedioxy-deoxybenzoin
- 3,4,3',4'-Di-methylendioxy-deoxy-benzoin
- 3,4-methylenedioxybenzyl 3,4-methylenedioxyphenyl ketone
- deoxypiperoin
- Desoxy-piperoin
- 50463-29-1
- DTXSID30282610
- NSC-26819
- SCHEMBL109197
- NSC26819
-
- Inchi： 1S/C16H12O5/c17-12(11-2-4-14-16(7-11)21-9-19-14)5-10-1-3-13-15(6-10)20-8-18-13/h1-4,6-7H,5,8-9H2
- InChI Key： UDUHZNQIWREYAY-UHFFFAOYSA-N
- SMILES： O1COC2=CC=C(C=C12)CC(C1=CC=C2C(=C1)OCO2)=O
Computed Properties
- Exact Mass: 284.06800
- Monoisotopic Mass: 284.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 398
- 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: 2.8
- Topological Polar Surface Area: 54?2
Experimental Properties
- PSA: 53.99000
- LogP: 2.56940
Ethanone,1,2-bis(1,3-benzodioxol-5-yl)- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
50463-29-1 (Ethanone,1,2-bis(1,3-benzodioxol-5-yl)-) Related Products
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