Cas no 29907-70-8 (2-Propanone, 1-(2,5-dimethoxy-4-methylphenyl)-)
29907-70-8 structure
Product Name:2-Propanone, 1-(2,5-dimethoxy-4-methylphenyl)-
CAS No:29907-70-8
MF:C12H16O3
MW:208.253643989563
CID:1439652
PubChem ID:596716
Update Time:2025-04-20
2-Propanone, 1-(2,5-dimethoxy-4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone, 1-(2,5-dimethoxy-4-methylphenyl)-
- 1-(2,5-dimethoxy-4-methylphenyl)propan-2-one
- SCHEMBL25281976
- 1-(2,5-Dimethoxy-4-methylphenyl)acetone #
- 2-Propanone, 1-(2,5-dimethoxy-p-tolyl)-
- 29907-70-8
- HVGSPGNDKJUCDF-UHFFFAOYSA-N
- DTXSID60344412
-
- Inchi： 1S/C12H16O3/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7H,6H2,1-4H3
- InChI Key： HVGSPGNDKJUCDF-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C)C(=CC=1CC(C)=O)OC
Computed Properties
- Exact Mass: 208.10998
- Monoisotopic Mass: 208.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 215
- 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: 1.8
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
2-Propanone, 1-(2,5-dimethoxy-4-methylphenyl)- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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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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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
29907-70-8 (2-Propanone, 1-(2,5-dimethoxy-4-methylphenyl)-) Related Products
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