Cas no 7250-12-6 (prop-2-en-1-yl 3-methylbenzoate)
7250-12-6 structure
Product Name:prop-2-en-1-yl 3-methylbenzoate
CAS No:7250-12-6
MF:C11H12O2
MW:176.211783409119
CID:977221
PubChem ID:226904
Update Time:2025-04-19
prop-2-en-1-yl 3-methylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- prop-2-en-1-yl 3-methylbenzoate
- Allyl 3-methylbenzoate; AC1L5F3Q; AC1Q60DL; m-Toluic acid, allyl ester; SureCN3264900; CTK5D6267; NSC17888; AR-1H6749;
- Allyl 3-methylbenzoate
- NSC17888
- 7250-12-6
- SCHEMBL3264900
- WJTFPKSSYSADRW-UHFFFAOYSA-N
- NSC-17888
- m-Toluic acid, allyl ester
- DTXSID30280656
- Allyl 3-methylbenzoate #
-
- Inchi： 1S/C11H12O2/c1-3-7-13-11(12)10-6-4-5-9(2)8-10/h3-6,8H,1,7H2,2H3
- InChI Key： WJTFPKSSYSADRW-UHFFFAOYSA-N
- SMILES： O(CC=C)C(C1=CC=CC(C)=C1)=O
Computed Properties
- Exact Mass: 176.08376
- Monoisotopic Mass: 176.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 187
- 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: 3.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 2.33780
prop-2-en-1-yl 3-methylbenzoate Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
7250-12-6 (prop-2-en-1-yl 3-methylbenzoate) Related Products
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