Cas no 37707-77-0 (1-benzo[f][1,3]benzodioxol-6-ylethanone)
37707-77-0 structure
Product Name:1-benzo[f][1,3]benzodioxol-6-ylethanone
CAS No:37707-77-0
MF:C13H10O3
MW:214.216703891754
CID:881889
PubChem ID:281102
Update Time:2025-04-19
1-benzo[f][1,3]benzodioxol-6-ylethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-benzo[f][1,3]benzodioxol-6-ylethanone
- 1-(naphtho[2,3-d][1,3]dioxol-6-yl)ethanone
- 1-naphtho[2,3-d][1,3]dioxol-6-yl-ethanone
- AC1L5TRY
- AC1Q5GPO
- AG-J-35646
- AR-1B3151
- CTK4H8673
- KST-1B3757
- NSC133607
-
- Inchi: 1S/C13H10O3/c1-8(14)9-2-3-10-5-12-13(16-7-15-12)6-11(10)4-9/h2-6H,7H2,1H3
- InChI Key: IQAYPARGTDNEIB-UHFFFAOYSA-N
- SMILES: O1COC2C=C3C=CC(C(C)=O)=CC3=CC1=2
Computed Properties
- Exact Mass: 214.063
- Monoisotopic Mass: 214.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 289
- 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: 2.7
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
1-benzo[f][1,3]benzodioxol-6-ylethanone Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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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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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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