Cas no 100606-37-9 (2-Propenoic acid, 3-(4-methoxy-2-methylphenyl)-, ethyl ester, (2E)-)
100606-37-9 structure
Product Name:2-Propenoic acid, 3-(4-methoxy-2-methylphenyl)-, ethyl ester, (2E)-
CAS No:100606-37-9
MF:C13H16O3
MW:220.264344215393
CID:1125951
PubChem ID:59898279
Update Time:2025-04-20
2-Propenoic acid, 3-(4-methoxy-2-methylphenyl)-, ethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(4-methoxy-2-methylphenyl)-, ethyl ester, (2E)-
- ethyl 3-(4-methoxy-2-methylphenyl)prop-2-enoate
- 100606-37-9
- DTXSID10733291
-
- Inchi： 1S/C13H16O3/c1-4-16-13(14)8-6-11-5-7-12(15-3)9-10(11)2/h5-9H,4H2,1-3H3
- InChI Key： FHXBWWQNTOQDBP-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(C=CC(=O)OCC)=C(C)C=1
Computed Properties
- Exact Mass: 220.10998
- Monoisotopic Mass: 220.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 248
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.9
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
2-Propenoic acid, 3-(4-methoxy-2-methylphenyl)-, ethyl ester, (2E)- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
100606-37-9 (2-Propenoic acid, 3-(4-methoxy-2-methylphenyl)-, ethyl ester, (2E)-) Related Products
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- 75332-46-6(ethyl (2E)-3-(4-ethoxyphenyl)prop-2-enoate)
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