Cas no 74460-24-5 (9,10-Anthracenedicarboxylic acid, bis(3-hydroxypropyl) ester)
74460-24-5 structure
Product Name:9,10-Anthracenedicarboxylic acid, bis(3-hydroxypropyl) ester
CAS No:74460-24-5
MF:C22H22O6
MW:382.406486988068
CID:540994
PubChem ID:71403977
Update Time:2025-04-19
9,10-Anthracenedicarboxylic acid, bis(3-hydroxypropyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedicarboxylic acid, bis(3-hydroxypropyl) ester
- bis(3-hydroxypropyl) anthracene-9,10-dicarboxylate
- DTXSID40824848
- Bis(3-hydroxypropyl)anthracene-9,10-dicarboxylate
- 74460-24-5
-
- Inchi： 1S/C22H22O6/c23-11-5-13-27-21(25)19-15-7-1-2-8-16(15)20(22(26)28-14-6-12-24)18-10-4-3-9-17(18)19/h1-4,7-10,23-24H,5-6,11-14H2
- InChI Key： BSCMHFBRDAUTFA-UHFFFAOYSA-N
- SMILES： O(CCCO)C(C1C2C=CC=CC=2C(C(=O)OCCCO)=C2C=CC=CC2=1)=O
Computed Properties
- Exact Mass: 382.14166
- Monoisotopic Mass: 382.14163842g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 10
- Complexity: 451
- 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: 3.5
- Topological Polar Surface Area: 93.1?2
Experimental Properties
- PSA: 93.06
9,10-Anthracenedicarboxylic acid, bis(3-hydroxypropyl) ester Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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