Cas no 5466-76-2 (2-Propenoic acid,3-(4-methoxyphenyl)-, 1-methylethyl ester)
5466-76-2 structure
Product Name:2-Propenoic acid,3-(4-methoxyphenyl)-, 1-methylethyl ester
CAS No:5466-76-2
MF:C13H16O3
MW:220.264344215393
CID:377888
PubChem ID:5355128
Update Time:2025-04-19
2-Propenoic acid,3-(4-methoxyphenyl)-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-(4-methoxyphenyl)-, 1-methylethyl ester
- propan-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
- 3-(4-Methoxyphenyl)propenoic acid isopropyl ester
- 4-Methoxycinnamic acid isopropyl ester
- ISOPROPYL METHOXYCINNAMATE
- isopropyl p-methoxycinnamate
- ISOPROPYL-4-METHOXYCINNAMATE
- Nsc26464
- PARA-METHOXYCINNAMICACIDISOPROPYLESTER
- CINNAMIC ACID, P-METHOXY-, ISOPROPYL ESTER
- 5466-76-2
- Isopropyl (E)-p-methoxycinnamate
- NSC-406320
- AEC ISOPROPYL METHOXYCINNAMATE
- ISOPROPYL TRANS-4-METHOXYCINNAMATE
- SCHEMBL15838
- Q27272075
- DTXSID501223006
- AI3-02425
- NS00013788
- propan-2-yl 3-(4-methoxyphenyl)prop-2-enoate
- UNII-9836DH83NI
- SCHEMBL342878
- 9836DH83NI
- 2-Propenoic acid, 3-(4-methoxyphenyl)-, 1-methylethyl ester, (2E)-
- 53484-51-8
- 2-Propenoic acid, 3-(4-methoxyphenyl)-, 1-methylethyl ester, (E)-
- NSC 26464
- ISOPROPYL METHOXYCINNAMATE [INCI]
- EINECS 226-774-1
- NSC-26464
- NSC 406320
- 1-Methylethyl (2E)-3-(4-methoxyphenyl)-2-propenoate
- (2E)-3-(4-METHOXYPHENYL)-2-PROPENOIC ACID 1-METHYLETHYL ESTER
- EINECS 258-581-3
- NSC406320
-
- Inchi： 1S/C13H16O3/c1-10(2)16-13(14)9-6-11-4-7-12(15-3)8-5-11/h4-10H,1-3H3/b9-6+
- InChI Key： XATKDVHSLQMHSY-RMKNXTFCSA-N
- SMILES： O(C(/C=C/C1C=CC(=CC=1)OC)=O)C(C)C
Computed Properties
- Exact Mass: 220.10998
- Monoisotopic Mass: 220.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 238
- 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: 35.5A^2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3
Experimental Properties
- Density: 1.06
- Boiling Point: 333.4°Cat760mmHg
- Flash Point: 137.7°C
- Refractive Index: 1.532
- PSA: 35.53
- LogP: 2.66000
2-Propenoic acid,3-(4-methoxyphenyl)-, 1-methylethyl ester Related Literature
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
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
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
5466-76-2 (2-Propenoic acid,3-(4-methoxyphenyl)-, 1-methylethyl ester) Related Products
- 1929-30-2(4-Methoxycinnamic Acid Ethyl Ester)
- 104-28-9(Cinoxate)
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- 75332-46-6(ethyl (2E)-3-(4-ethoxyphenyl)prop-2-enoate)
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