Cas no 618120-26-6 (1,4-Benzenedicarboxylic acid, 2-(4-methoxybenzoyl)-)
618120-26-6 structure
Product Name:1,4-Benzenedicarboxylic acid, 2-(4-methoxybenzoyl)-
CAS No:618120-26-6
MF:C16H12O6
MW:300.262885093689
CID:1630099
PubChem ID:71391927
Update Time:2025-04-21
1,4-Benzenedicarboxylic acid, 2-(4-methoxybenzoyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxylic acid, 2-(4-methoxybenzoyl)-
- 2-(4-methoxybenzoyl)terephthalic acid
- 2-(4-Methoxybenzoyl)benzene-1,4-dicarboxylic acid
- 618120-26-6
- DTXSID20813750
-
- Inchi: 1S/C16H12O6/c1-22-11-5-2-9(3-6-11)14(17)13-8-10(15(18)19)4-7-12(13)16(20)21/h2-8H,1H3,(H,18,19)(H,20,21)
- InChI Key: IUDSNYPCMFOOTB-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC(=CC=1)OC)C1C=C(C(=O)O)C=CC=1C(=O)O
Computed Properties
- Exact Mass: 300.06336
- Monoisotopic Mass: 300.06338810g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 438
- 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: 2.3
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 100.9
1,4-Benzenedicarboxylic acid, 2-(4-methoxybenzoyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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