Cas no 100973-03-3 (2,5-Dipropoxy-1,4-Benzenedicarboxylic acid)
100973-03-3 structure
Product Name:2,5-Dipropoxy-1,4-Benzenedicarboxylic acid
CAS No:100973-03-3
MF:C14H18O6
MW:282.289124965668
CID:2140080
Update Time:2023-08-03
2,5-Dipropoxy-1,4-Benzenedicarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 2,5-dipropoxy-1,4-Benzenedicarboxylic acid
- 2,5-dipropoxyterephthalic acid
- 2,5-Dipropoxy-1,4-Benzenedicarboxylic acid
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- Inchi： 1S/C14H18O6/c1-3-5-19-11-7-10(14(17)18)12(20-6-4-2)8-9(11)13(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)
- InChI Key： PZYPRFXWTAKZNU-UHFFFAOYSA-N
- SMILES： O(CCC)C1C=C(C(=O)O)C(=CC=1C(=O)O)OCCC
Computed Properties
- Exact Mass: 282.11
- Monoisotopic Mass: 282.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 298
- 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
- Topological Polar Surface Area: 93.1
2,5-Dipropoxy-1,4-Benzenedicarboxylic acid Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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