Cas no 77821-95-5 (Propanoic acid, 2,2-dimethyl-, 3-phenyl-2-propenyl ester)
77821-95-5 structure
Product Name:Propanoic acid, 2,2-dimethyl-, 3-phenyl-2-propenyl ester
CAS No:77821-95-5
MF:C14H18O2
MW:218.291524410248
CID:535492
PubChem ID:71403226
Update Time:2025-04-19
Propanoic acid, 2,2-dimethyl-, 3-phenyl-2-propenyl ester Chemical and Physical Properties
Names and Identifiers
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- Propanoic acid, 2,2-dimethyl-, 3-phenyl-2-propenyl ester
- 3-phenylprop-2-enyl 2,2-dimethylpropanoate
- DTXSID30824150
- 3-Phenylprop-2-en-1-yl 2,2-dimethylpropanoate
- 77821-95-5
-
- Inchi： 1S/C14H18O2/c1-14(2,3)13(15)16-11-7-10-12-8-5-4-6-9-12/h4-10H,11H2,1-3H3
- InChI Key： CHHARWISCOYVDV-UHFFFAOYSA-N
- SMILES： O(CC=CC1C=CC=CC=1)C(C(C)(C)C)=O
Computed Properties
- Exact Mass: 218.130679813g/mol
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 242
- 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: 3.7
- Topological Polar Surface Area: 26.3?2
Propanoic acid, 2,2-dimethyl-, 3-phenyl-2-propenyl ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
77821-95-5 (Propanoic acid, 2,2-dimethyl-, 3-phenyl-2-propenyl ester) Related Products
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