Cas no 37559-18-5 (3-phenylprop-2-ynyl Acetate)
3-phenylprop-2-ynyl Acetate structure
Product Name:3-phenylprop-2-ynyl Acetate
CAS No:37559-18-5
MF:C11H10O2
MW:174.195903301239
CID:922392
PubChem ID:326641
Update Time:2025-04-19
3-phenylprop-2-ynyl Acetate Chemical and Physical Properties
Names and Identifiers
-
- 3-phenylprop-2-ynyl Acetate
- 1-Phenyl-3-acetoxy-1-propyne
- 3-acetoxy-1-phenyl-1-propyne
- 3-phenyl-2-propynyl acetate
- 3-phenylpropargylacetate
- AC1L6YT4
- acetic acid-(3-phenyl-prop-2-ynyl ester)
- NSC298317
- NSC-298317
- DTXSID70315971
- 37559-18-5
-
- Inchi： 1S/C11H10O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,9H2,1H3
- InChI Key： COAMNQXIYTUGMM-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CC#CC1C=CC=CC=1
Computed Properties
- Exact Mass: 174.0681
- Monoisotopic Mass: 174.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 225
- 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: 2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3-phenylprop-2-ynyl Acetate Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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