Cas no 83348-18-9 (2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, dodecyl ester)
83348-18-9 structure
Product Name:2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, dodecyl ester
CAS No:83348-18-9
MF:C21H32O4
MW:348.476387023926
CID:672368
PubChem ID:44587441
Update Time:2025-04-19
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, dodecyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, dodecyl ester
- dodecyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
- dodecyl caffeate
- Dodecyl 1-(3',4'-dihydroxyphenyl)propenate
- CHEMBL496598
- SCHEMBL16428904
- Dodecyl 3-(3,4-Dihydroxyphenyl)Acrylate
- 83348-18-9
- dodecyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
-
- Inchi： 1S/C21H32O4/c1-2-3-4-5-6-7-8-9-10-11-16-25-21(24)15-13-18-12-14-19(22)20(23)17-18/h12-15,17,22-23H,2-11,16H2,1H3/b15-13+
- InChI Key： XXFZUZXCHYDOJO-FYWRMAATSA-N
- SMILES： O(C(/C=C/C1C=CC(=C(C=1)O)O)=O)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 348.23005950g/mol
- Monoisotopic Mass: 348.23005950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 14
- Complexity: 367
- 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
- XLogP3: 7.9
- Topological Polar Surface Area: 66.8?2
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, dodecyl ester Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Coumaric acids and derivatives
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Coumaric acids and derivatives
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