Cas no 62718-61-0 (2-Propenoic acid, 3-(4-propylphenyl)-, (E)-)
62718-61-0 structure
Product Name:2-Propenoic acid, 3-(4-propylphenyl)-, (E)-
CAS No:62718-61-0
MF:C12H14O2
MW:190.238363742828
CID:434227
PubChem ID:53401798
Update Time:2025-04-19
2-Propenoic acid, 3-(4-propylphenyl)-, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-(4-propylphenyl)-, (E)-
- 3-(4-propylphenyl)prop-2-enoic acid
- 62718-61-0
- BWEWPHKYGVJYHR-UHFFFAOYSA-N
- AKOS017423735
- 4-n-Propylcinnamic acid
- DTXSID20694960
-
- MDL： MFCD09999331
- Inchi： 1S/C12H14O2/c1-2-3-10-4-6-11(7-5-10)8-9-12(13)14/h4-9H,2-3H2,1H3,(H,13,14)
- InChI Key： BWEWPHKYGVJYHR-UHFFFAOYSA-N
- SMILES： OC(C=CC1C=CC(=CC=1)CCC)=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: 4
- Complexity: 200
- 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: 3.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Propenoic acid, 3-(4-propylphenyl)-, (E)- Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
62718-61-0 (2-Propenoic acid, 3-(4-propylphenyl)-, (E)-) Related Products
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