Cas no 646068-11-3 (Butanoic acid, 3-(4-methylphenyl)-2-propenyl ester)
646068-11-3 structure
Product Name:Butanoic acid, 3-(4-methylphenyl)-2-propenyl ester
CAS No:646068-11-3
MF:C14H18O2
MW:218.291524410248
CID:421236
PubChem ID:71379435
Update Time:2025-04-19
Butanoic acid, 3-(4-methylphenyl)-2-propenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 3-(4-methylphenyl)-2-propenyl ester
- 3-(4-methylphenyl)prop-2-enyl butanoate
- 646068-11-3
- DTXSID00802001
- 3-(4-Methylphenyl)prop-2-en-1-yl butanoate
-
- Inchi： 1S/C14H18O2/c1-3-5-14(15)16-11-4-6-13-9-7-12(2)8-10-13/h4,6-10H,3,5,11H2,1-2H3
- InChI Key： RPSHMACOHWGERP-UHFFFAOYSA-N
- SMILES： O(CC=CC1C=CC(C)=CC=1)C(CCC)=O
Computed Properties
- Exact Mass: 218.13074
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 225
- 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: 3.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Butanoic acid, 3-(4-methylphenyl)-2-propenyl ester Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
646068-11-3 (Butanoic acid, 3-(4-methylphenyl)-2-propenyl ester) Related Products
- 103-61-7(Cinnamyl butyrate)
- 78761-38-3(2-Propen-1-ol,3-phenyl-, 1-propanoate, (2E)-)
- 140-27-2(Butanoic acid, 3-methyl-, 3-phenyl-2-propen-1-yl ester)
- 57582-46-4(Cinnamyl 3-oxobutanoate)
- 103-56-0(2-Propen-1-ol, 3-phenyl-, propanoate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 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)
Recommended suppliers
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
