Cas no 86761-30-0 (2-Propenoic acid, 3-(3,5-dimethylphenyl)-, methyl ester)
86761-30-0 structure
Product Name:2-Propenoic acid, 3-(3,5-dimethylphenyl)-, methyl ester
CAS No:86761-30-0
MF:C12H14O2
MW:190.238363742828
CID:582534
PubChem ID:54431196
Update Time:2024-03-02
2-Propenoic acid, 3-(3,5-dimethylphenyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid, 3-(3,5-dimethylphenyl)-, methyl ester
- methyl 3-(3,5-dimethylphenyl)prop-2-enoate
- Methyl 3-(3,5-dimethylphenyl)-2-propenoate
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- Inchi： 1S/C12H14O2/c1-9-6-10(2)8-11(7-9)4-5-12(13)14-3/h4-8H,1-3H3
- InChI Key： WHPHNGKJSGUXMW-UHFFFAOYSA-N
- SMILES： C(OC)(=O)C=CC1=CC(C)=CC(C)=C1
Computed Properties
- Exact Mass: 190.099379685g/mol
- Monoisotopic Mass: 190.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 210
- 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: 3.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.039±0.06 g/cm3(Predicted)
- Boiling Point: 288.2±9.0 °C(Predicted)
2-Propenoic acid, 3-(3,5-dimethylphenyl)-, methyl ester Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
86761-30-0 (2-Propenoic acid, 3-(3,5-dimethylphenyl)-, methyl ester) Related Products
- 1754-62-7(methyl-3-phenylprop-2-enoate)
- 7560-50-1(methyl 3-(4-formylphenyl)prop-2-enoate)
- 20754-20-5(methyl (2E)-3-(4-methylphenyl)prop-2-enoate)
- 103-26-4(Methyl cinnamate)
- 103-36-6(Ethyl cinnamate)
- 4610-69-9(cis-Ethyl Cinnamate (contains up to 10% Ethyl dihydrocinnamate))
- 20511-20-0(Ethyl 4-Methylcinnamate)
- 122-69-0(2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester)
- 4192-77-2(ethyl (2E)-3-phenylprop-2-enoate)
- 1866-31-5(Allyl cinnamate)
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