Cas no 40931-15-5 (ethyl 2,5-dihydroxycinnamate)
ethyl 2,5-dihydroxycinnamate structure
Product Name:ethyl 2,5-dihydroxycinnamate
CAS No:40931-15-5
MF:C11H12O4
MW:208.210583686829
CID:926383
PubChem ID:6441630
Update Time:2025-04-19
ethyl 2,5-dihydroxycinnamate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2,5-dihydroxycinnamate
- ethyl 3-(2,5-dihydroxyphenyl)prop-2-enoate
- SCHEMBL3366448
- 40931-15-5
- 2,5-Mec
- AMY32478
- 2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, ethyl ester
- CHEMBL277077
- ethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
-
- Inchi： 1S/C11H12O4/c1-2-15-11(14)6-3-8-7-9(12)4-5-10(8)13/h3-7,12-13H,2H2,1H3/b6-3+
- InChI Key： VNBYFUWBOIEPCR-ZZXKWVIFSA-N
- SMILES： O(C(/C=C/C1C=C(C=CC=1O)O)=O)CC
Computed Properties
- Exact Mass: 208.073559
- Monoisotopic Mass: 208.073559
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- 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: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.8
- XLogP3: 1.9
Experimental Properties
- Density: 1.271
- Boiling Point: 407.3°C at 760 mmHg
- Flash Point: 162°C
- Refractive Index: 1.612
ethyl 2,5-dihydroxycinnamate Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Hydroxycinnamic acids
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