Cas no 57309-79-2 ( )
structure
Product Name:
CAS No:57309-79-2
MF:C13H14O3
MW:218.248464107513
CID:946828
PubChem ID:6306151
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- Sorbophenone, 2'-hydroxy-4'-methoxy-, E,E-
- 1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propane
- 1-(2'-hydroxy-4'-methoxyphenyl)-3-(4''-hydroxy-3''-methyoxyphenyl)-propane
- 2'-Hydroxy-4'-methoxy-(E,E)-sorbophenon
- 5-methoxy-2-sorbylphenol
- ACMC-20m6ec
- AGN-PC-000543
- CHEBI:69704
- CHEMBL1834920
- CTK0D8475
- griffithane F
- NP-016621
- Phenol, 4-[3-(2-hydroxy-4-methoxyphenyl)propyl]-2-methoxy-
- Sorbophenone, E,E-
- NSC-178250
- NSC178250
- 57309-79-2
-
-
- Inchi： 1S/C13H14O3/c1-3-4-5-6-12(14)11-8-7-10(16-2)9-13(11)15/h3-9,15H,1-2H3/b4-3+,6-5+
- InChI Key： NWVHMNPNVNFNFQ-VNKDHWASSA-N
- SMILES： O(C)C1C=CC(C(/C=C/C=C/C)=O)=C(C=1)O
Computed Properties
- Exact Mass: 218.09432
- Monoisotopic Mass: 218.094294
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 281
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 3.4
- Topological Polar Surface Area: 46.5
Experimental Properties
- Density: 1.109
- Boiling Point: 390.8°C at 760 mmHg
- Flash Point: 149.5°C
- Refractive Index: 1.558
- PSA: 46.53
- LogP: 2.71580
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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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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4. 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
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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