Cas no 90547-04-9 (1-(2,4-Diethoxy-5-propylphenyl)ethan-1-one)
90547-04-9 structure
Product Name:1-(2,4-Diethoxy-5-propylphenyl)ethan-1-one
CAS No:90547-04-9
MF:C15H22O3
MW:250.333384990692
CID:2812406
PubChem ID:13215645
Update Time:2025-04-21
1-(2,4-Diethoxy-5-propylphenyl)ethan-1-one Chemical and Physical Properties
Names and Identifiers
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- 1-(2,4-Diethoxy-5-propylphenyl)ethan-1-one
- 90547-04-9
- DTXSID90528849
-
- Inchi： 1S/C15H22O3/c1-5-8-12-9-13(11(4)16)15(18-7-3)10-14(12)17-6-2/h9-10H,5-8H2,1-4H3
- InChI Key： OBYSBCCKOVLDGY-UHFFFAOYSA-N
- SMILES： O(CC)C1C=C(C(C(C)=O)=CC=1CCC)OCC
Computed Properties
- Exact Mass: 250.15689456Da
- Monoisotopic Mass: 250.15689456Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 252
- 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: 35.5?2
1-(2,4-Diethoxy-5-propylphenyl)ethan-1-one Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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