Cas no 847646-83-7 (methyl (2E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoate)
847646-83-7 structure
Product Name:methyl (2E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoate
CAS No:847646-83-7
MF:C13H16O5
MW:252.263144493103
CID:1825716
PubChem ID:23124870
Update Time:2025-04-21
methyl (2E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoate Chemical and Physical Properties
Names and Identifiers
-
- 2-PROPENOIC ACID, 3-(2,4,6-TRIMETHOXYPHENYL)-, METHYL ESTER, (2E)-
- methyl (2E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoate
- Methyl (2E)-3-(2,4,6-trimethoxyphenyl)acrylate
- Methyl-(2E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoat
- LogP
- methyl 3-(2,4,6-trimethoxyphenyl)prop-2-enoate
- DTXSID60736595
- 847646-83-7
-
- Inchi: 1S/C13H16O5/c1-15-9-7-11(16-2)10(12(8-9)17-3)5-6-13(14)18-4/h5-8H,1-4H3/b6-5+
- InChI Key: WHUVQPGRRWPJGS-AATRIKPKSA-N
- SMILES: O(C)C1C=C(C=C(C=1/C=C/C(=O)OC)OC)OC
Computed Properties
- Exact Mass: 252.09977361g/mol
- Monoisotopic Mass: 252.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 275
- 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: 2.1
- Topological Polar Surface Area: 54?2
methyl (2E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoate Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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