Cas no 153117-87-4 (1,3-Benzenedicarboxylic acid, 5-(decyloxy)-)
153117-87-4 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-(decyloxy)-
CAS No:153117-87-4
MF:C18H26O5
MW:322.396046161652
CID:1326376
PubChem ID:71346498
Update Time:2025-04-20
1,3-Benzenedicarboxylic acid, 5-(decyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 5-(decyloxy)-
- 5-decoxybenzene-1,3-dicarboxylic acid
- SCHEMBL15955753
- DTXSID60772554
- 5-decyloxyisophthalic acid
- 5-(DECYLOXY)BENZENE-1,3-DICARBOXYLIC ACID
- 153117-87-4
-
- Inchi： 1S/C18H26O5/c1-2-3-4-5-6-7-8-9-10-23-16-12-14(17(19)20)11-15(13-16)18(21)22/h11-13H,2-10H2,1H3,(H,19,20)(H,21,22)
- InChI Key： RYLWKSZWKNUNAY-UHFFFAOYSA-N
- SMILES： O(C1C=C(C(=O)O)C=C(C(=O)O)C=1)CCCCCCCCCC
Computed Properties
- Exact Mass: 322.17808
- Monoisotopic Mass: 322.17802393g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 12
- Complexity: 333
- 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: 5.6
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- PSA: 83.83
1,3-Benzenedicarboxylic acid, 5-(decyloxy)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
153117-87-4 (1,3-Benzenedicarboxylic acid, 5-(decyloxy)-) Related Products
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