Cas no 55045-01-7 (2-(Acetyloxy)-1,4-benzenedicarboxylic acid dimethyl ester)
55045-01-7 structure
Product Name:2-(Acetyloxy)-1,4-benzenedicarboxylic acid dimethyl ester
CAS No:55045-01-7
MF:C12H12O6
MW:252.220084190369
CID:2185555
PubChem ID:601430
Update Time:2025-04-21
2-(Acetyloxy)-1,4-benzenedicarboxylic acid dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-(Acetyloxy)-1,4-benzenedicarboxylic acid dimethyl ester
- 55045-01-7
- 1,4-Benzenedicarboxylic acid, 2-(acetyloxy)-, dimethyl ester
- VZKCUZFNIPGFQK-UHFFFAOYSA-N
- Dimethyl 2-(acetyloxy)terephthalate #
- DB-301928
-
- Inchi： 1S/C12H12O6/c1-7(13)18-10-6-8(11(14)16-2)4-5-9(10)12(15)17-3/h4-6H,1-3H3
- InChI Key： VZKCUZFNIPGFQK-UHFFFAOYSA-N
- SMILES： COC(C1C=C(OC(=O)C)C(C(OC)=O)=CC=1)=O
Computed Properties
- Exact Mass: 252.063
- Monoisotopic Mass: 252.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 338
- 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: 1.3
- Topological Polar Surface Area: 78.9?2
2-(Acetyloxy)-1,4-benzenedicarboxylic acid dimethyl ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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