Cas no 820215-71-2 (Benzenepropanoic acid, 3,4-bis(2-propynyloxy)-)
820215-71-2 structure
Product Name:Benzenepropanoic acid, 3,4-bis(2-propynyloxy)-
CAS No:820215-71-2
MF:C15H14O4
MW:258.269264698029
CID:701308
PubChem ID:23114914
Update Time:2025-04-19
Benzenepropanoic acid, 3,4-bis(2-propynyloxy)- Chemical and Physical Properties
Names and Identifiers
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- Benzenepropanoic acid, 3,4-bis(2-propynyloxy)-
- 3-[3,4-bis(prop-2-ynoxy)phenyl]propanoic acid
- SCHEMBL5685740
- DTXSID80630708
- HSVTWABTKBBFEY-UHFFFAOYSA-N
- 3-{3,4-bis(2-propynyloxy)phenyl}propionic acid
- 820215-71-2
- 3-{3,4-Bis[(prop-2-yn-1-yl)oxy]phenyl}propanoic acid
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- Inchi： 1S/C15H14O4/c1-3-9-18-13-7-5-12(6-8-15(16)17)11-14(13)19-10-4-2/h1-2,5,7,11H,6,8-10H2,(H,16,17)
- InChI Key： HSVTWABTKBBFEY-UHFFFAOYSA-N
- SMILES： O(CC#C)C1=C(C=CC(=C1)CCC(=O)O)OCC#C
Computed Properties
- Exact Mass: 258.08920892g/mol
- Monoisotopic Mass: 258.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 383
- 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: 1.9
- Topological Polar Surface Area: 55.8?2
Benzenepropanoic acid, 3,4-bis(2-propynyloxy)- 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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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