Cas no 89445-56-7 (Heptanedioic acid, 2-[(4-fluorophenyl)methyl]-)
![Heptanedioic acid, 2-[(4-fluorophenyl)methyl]- structure](https://ossimg.kuujia.com/scimg/89500/89445-56-7x500.png)
89445-56-7 structure
Product Name:Heptanedioic acid, 2-[(4-fluorophenyl)methyl]-
CAS No:89445-56-7
MF:C14H17FO4
MW:268.280788183212
CID:600330
PubChem ID:13519769
Update Time:2025-04-19
Heptanedioic acid, 2-[(4-fluorophenyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Heptanedioic acid, 2-[(4-fluorophenyl)methyl]-
- 2-[(4-fluorophenyl)methyl]heptanedioic acid
- SCHEMBL11074746
- DTXSID10542825
- 1-(4-fluorobenzyl)-1,5-pentane dicarboxylic acid
- MYUCWWQKEMHXQV-UHFFFAOYSA-N
- 89445-56-7
-
- Inchi： 1S/C14H17FO4/c15-12-7-5-10(6-8-12)9-11(14(18)19)3-1-2-4-13(16)17/h5-8,11H,1-4,9H2,(H,16,17)(H,18,19)
- InChI Key： MYUCWWQKEMHXQV-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)CC(C(=O)O)CCCCC(=O)O
Computed Properties
- Exact Mass: 268.11108718g/mol
- Monoisotopic Mass: 268.11108718g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 298
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 74.6?2
Heptanedioic acid, 2-[(4-fluorophenyl)methyl]- Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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