Cas no 80220-93-5 (2-Propynoic acid, 3-phenyl-, butyl ester)
80220-93-5 structure
Product Name:2-Propynoic acid, 3-phenyl-, butyl ester
CAS No:80220-93-5
MF:C13H14O2
MW:202.249063968658
CID:706045
PubChem ID:11769566
Update Time:2025-04-19
2-Propynoic acid, 3-phenyl-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propynoic acid, 3-phenyl-, butyl ester
- butyl 3-phenylprop-2-ynoate
- LogP
- ZSCXDZVDJROKDN-UHFFFAOYSA-N
- 3-phenyl-prop-2-ynoic acid butyl ester
- DTXSID90472156
- n-butyl phenylpropynoate
- 80220-93-5
- SCHEMBL5680676
-
- Inchi： 1S/C13H14O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-8H,2-3,11H2,1H3
- InChI Key： ZSCXDZVDJROKDN-UHFFFAOYSA-N
- SMILES： O(C(C#CC1C=CC=CC=1)=O)CCCC
Computed Properties
- Exact Mass: 202.099379685g/mol
- Monoisotopic Mass: 202.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 250
- 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: 3.6
- Topological Polar Surface Area: 26.3?2
2-Propynoic acid, 3-phenyl-, butyl ester Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
80220-93-5 (2-Propynoic acid, 3-phenyl-, butyl ester) Related Products
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