Cas no 61712-17-2 (2-Butenoic acid, 2-methyl-3-(4-methylphenyl)-, (E)-)
61712-17-2 structure
Product Name:2-Butenoic acid, 2-methyl-3-(4-methylphenyl)-, (E)-
CAS No:61712-17-2
MF:C12H14O2
MW:190.238363742828
CID:468967
PubChem ID:45117204
Update Time:2025-04-19
2-Butenoic acid, 2-methyl-3-(4-methylphenyl)-, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 2-methyl-3-(4-methylphenyl)-, (E)-
- 2-Butenoicacid,2-methyl-3-(4-methylphenyl)-,(E)-(9CI)
- 2-methyl-3-(4-methylphenyl)but-2-enoic acid
- (E)-2-Methyl-3-(p-tolyl)but-2-enoic acid
- 61712-17-2
- SCHEMBL6743518
-
- Inchi： 1S/C12H14O2/c1-8-4-6-11(7-5-8)9(2)10(3)12(13)14/h4-7H,1-3H3,(H,13,14)/b10-9+
- InChI Key： XAUUADVNCIAJNT-MDZDMXLPSA-N
- SMILES： OC(/C(/C)=C(\C)/C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 190.09942
- Monoisotopic Mass: 190.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 245
- 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: 3.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Butenoic acid, 2-methyl-3-(4-methylphenyl)-, (E)- Related Literature
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
61712-17-2 (2-Butenoic acid, 2-methyl-3-(4-methylphenyl)-, (E)-) Related Products
- 1199-20-8(3-Phenylbut-2-enoic acid)
- 20432-26-2((2E)-2-phenylbut-2-enoic acid)
- 16110-98-8(2-Phenylmaleic acid)
- 1199-77-5(α-methylcinnamic acid)
- 91-47-4((Z)-2,3-diphenylacrylic Acid)
- 91-48-5(α-Phenylcinnamic Acid)
- 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)
Recommended suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Gold Member
Audited Supplier
CN Supplier
Bulk
