Cas no 61322-76-7 (1-Cyclopentene-1-heptanoic acid, 5-oxo-2-(2-phenylethyl)-)
61322-76-7 structure
Product Name:1-Cyclopentene-1-heptanoic acid, 5-oxo-2-(2-phenylethyl)-
CAS No:61322-76-7
MF:C20H26O3
MW:314.418646335602
CID:484103
PubChem ID:21512296
Update Time:2025-04-19
1-Cyclopentene-1-heptanoic acid, 5-oxo-2-(2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclopentene-1-heptanoic acid, 5-oxo-2-(2-phenylethyl)-
- 7-[5-oxo-2-(2-phenylethyl)cyclopenten-1-yl]heptanoic acid
- 61322-76-7
- DTXSID50615380
- SCHEMBL11872147
- 9-Oxo-15,20-cycloprosta-8(12),15,17,19-tetraen-1-oic acid
-
- Inchi： 1S/C20H26O3/c21-19-15-14-17(13-12-16-8-4-3-5-9-16)18(19)10-6-1-2-7-11-20(22)23/h3-5,8-9H,1-2,6-7,10-15H2,(H,22,23)
- InChI Key： KLOOFPNJEFEBCS-UHFFFAOYSA-N
- SMILES： O=C1CCC(CCC2C=CC=CC=2)=C1CCCCCCC(=O)O
Computed Properties
- Exact Mass: 314.18828
- Monoisotopic Mass: 314.18819469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 10
- Complexity: 430
- 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: 4.1
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
1-Cyclopentene-1-heptanoic acid, 5-oxo-2-(2-phenylethyl)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
61322-76-7 (1-Cyclopentene-1-heptanoic acid, 5-oxo-2-(2-phenylethyl)-) Related Products
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