Cas no 126266-78-2 (1-Propanone,1-(1,3-benzodioxol-5-yl)-3-phenyl-)
126266-78-2 structure
Product Name:1-Propanone,1-(1,3-benzodioxol-5-yl)-3-phenyl-
CAS No:126266-78-2
MF:C16H14O3
MW:254.280564785004
CID:155808
PubChem ID:3079638
Update Time:2025-04-19
1-Propanone,1-(1,3-benzodioxol-5-yl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone,1-(1,3-benzodioxol-5-yl)-3-phenyl-
- 1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-one
- 1-benzo[1,3]dioxol-5-yl-3-phenyl-propan-1-one
- 1-(1,3-Benzodioxol-5-yl)-3-phenyl-2-propanone
- 1-(benzo[d][1,3]dioxol-5-yl)-3-phenylpropan-1-one
- 2-Propanone, 1-(1,3-benzodioxol-5-yl)-3-phenyl-
- AC1MITU5
- ACMC-1C941
- AG-D-55183
- BRN 4194010
- CTK4B5086
- DTXSID80155128
- 126266-78-2
-
- Inchi： 1S/C16H14O3/c17-14(8-6-12-4-2-1-3-5-12)13-7-9-15-16(10-13)19-11-18-15/h1-5,7,9-10H,6,8,11H2
- InChI Key： KWERTVJSMBTGIA-UHFFFAOYSA-N
- SMILES： O1COC2=CC=C(C=C12)C(CCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 254.09432
- Monoisotopic Mass: 254.094294
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 309
- 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
- Topological Polar Surface Area: 35.5
- XLogP3: 3.3
Experimental Properties
- Density: 1.214
- Boiling Point: 437°Cat760mmHg
- Flash Point: 210°C
- Refractive Index: 1.599
- PSA: 35.53
1-Propanone,1-(1,3-benzodioxol-5-yl)-3-phenyl- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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