Cas no 58085-30-6 (2-Propenoic acid, 2-methyl-3-phenyl-, 2-methyl-2-propenyl ester)
58085-30-6 structure
Product Name:2-Propenoic acid, 2-methyl-3-phenyl-, 2-methyl-2-propenyl ester
CAS No:58085-30-6
MF:C14H16O2
MW:216.275644302368
CID:343151
PubChem ID:71443790
Update Time:2025-04-19
2-Propenoic acid, 2-methyl-3-phenyl-, 2-methyl-2-propenyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid, 2-methyl-3-phenyl-, 2-methyl-2-propenyl ester
- 2-methylprop-2-enyl 2-methyl-3-phenylprop-2-enoate
- 2-Methylprop-2-en-1-yl 2-methyl-3-phenylprop-2-enoate
- 58085-30-6
- DTXSID30852599
-
- Inchi: 1S/C14H16O2/c1-11(2)10-16-14(15)12(3)9-13-7-5-4-6-8-13/h4-9H,1,10H2,2-3H3
- InChI Key: QUUKFFZMPSJWGL-UHFFFAOYSA-N
- SMILES: O(C(C(C)=CC1C=CC=CC=1)=O)CC(=C)C
Computed Properties
- Exact Mass: 216.11508
- Monoisotopic Mass: 216.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 283
- 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: 3.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Propenoic acid, 2-methyl-3-phenyl-, 2-methyl-2-propenyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Jason Wan Lab Chip, 2020,20, 4528-4538
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