Cas no 71942-30-8 (9-Anthracenecarboxylic acid, propyl ester)
71942-30-8 structure
Product Name:9-Anthracenecarboxylic acid, propyl ester
CAS No:71942-30-8
MF:C18H16O2
MW:264.318445205688
CID:544775
PubChem ID:12646742
Update Time:2025-04-19
9-Anthracenecarboxylic acid, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- 9-Anthracenecarboxylic acid, propyl ester
- propyl anthracene-9-carboxylate
- 71942-30-8
- SCHEMBL6880564
- 9-carbopropoxy-anthracene
- DTXSID40505569
- propyl 9-anthroate
-
- Inchi： 1S/C18H16O2/c1-2-11-20-18(19)17-15-9-5-3-7-13(15)12-14-8-4-6-10-16(14)17/h3-10,12H,2,11H2,1H3
- InChI Key： BWVSAYRMFMLUSW-UHFFFAOYSA-N
- SMILES： O(CCC)C(C1C2C=CC=CC=2C=C2C=CC=CC=12)=O
Computed Properties
- Exact Mass: 264.11508
- Monoisotopic Mass: 264.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 316
- 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: 5.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
9-Anthracenecarboxylic acid, propyl ester Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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