Cas no 6335-78-0 (ethyl 3-methyl-2-phenylbut-2-enoate)
6335-78-0 structure
Product Name:ethyl 3-methyl-2-phenylbut-2-enoate
CAS No:6335-78-0
MF:C13H16O2
MW:204.264944076538
CID:959901
PubChem ID:236382
Update Time:2025-04-19
ethyl 3-methyl-2-phenylbut-2-enoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 3-methyl-2-phenylbut-2-enoate
- 3-Methyl-2-phenyl-but-2-enoic acid ethyl ester
- NSC38816
- NSC-38816
- 6335-78-0
- AKOS030599858
- DB-204708
- DTXSID10979490
-
- Inchi： 1S/C13H16O2/c1-4-15-13(14)12(10(2)3)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3
- InChI Key： XCOMMVMHCUNDKB-UHFFFAOYSA-N
- SMILES： O(CC)C(/C(=C(/C)\C)/C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 204.11508
- Monoisotopic Mass: 204.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 243
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
ethyl 3-methyl-2-phenylbut-2-enoate Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
6335-78-0 (ethyl 3-methyl-2-phenylbut-2-enoate) Related Products
- 4808-48-4(2,3-Diphenylmaleic Anhydride)
- 36122-35-7(Phenylmaleic Anhydride)
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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