Cas no 5438-55-1 (1-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethanone)
5438-55-1 structure
Product Name:1-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethanone
CAS No:5438-55-1
MF:C12H14O3
MW:206.237763881683
CID:940977
PubChem ID:226328
Update Time:2025-04-19
1-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethanone
- 1-(3-Allyl-4-hydroxy-5-methoxy-phenyl)-aethanon
- 1-(3-allyl-4-hydroxy-5-methoxy-phenyl)-ethanone
- 1-[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)phenyl]ethanone
- AC1L5EOP
- AC1Q5DJB
- AR-1B9359
- CTK5A0783
- KST-1B6522
- NSC16702
- SureCN9421955
- NSC-16702
- 5438-55-1
- DTXSID70280392
- SCHEMBL9421955
-
- Inchi： 1S/C12H14O3/c1-4-5-9-6-10(8(2)13)7-11(15-3)12(9)14/h4,6-7,14H,1,5H2,2-3H3
- InChI Key： CHHFXWGARSXQNF-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C(C)=O)C=C(CC=C)C=1O
Computed Properties
- Exact Mass: 206.09432
- Monoisotopic Mass: 206.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 237
- 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: 2.3
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
- LogP: 2.33190
1-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)ethanone Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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