Cas no 97552-48-2 (1,3-Benzenedicarboxylicacid, 1,3-propanediyl ester (9CI))
97552-48-2 structure
Product Name:1,3-Benzenedicarboxylicacid, 1,3-propanediyl ester (9CI)
CAS No:97552-48-2
MF:C11H10O4
MW:206.194703578949
CID:805643
PubChem ID:44144746
Update Time:2025-04-19
1,3-Benzenedicarboxylicacid, 1,3-propanediyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylicacid, 1,3-propanediyl ester (9CI)
- 3,7-dioxabicyclo[7.3.1]trideca-1(13),9,11-triene-2,8-dione
- propane-1,3-diyl isophthalate
- SCHEMBL212973
- trimethylene isophthalate
- DTXSID30243024
- EINECS 307-100-6
- 97552-48-2
-
- Inchi： 1S/C11H10O4/c12-10-8-3-1-4-9(7-8)11(13)15-6-2-5-14-10/h1,3-4,7H,2,5-6H2
- InChI Key： DLAPJRRJGUIWTG-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=C(C(=O)OCCC1)C=2)=O
Computed Properties
- Exact Mass: 206.058
- Monoisotopic Mass: 206.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 237
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.8
- Topological Polar Surface Area: 52.6A^2
Experimental Properties
- Boiling Point: 631.5°C at 760 mmHg
- Flash Point: 228.3°C
1,3-Benzenedicarboxylicacid, 1,3-propanediyl ester (9CI) Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
97552-48-2 (1,3-Benzenedicarboxylicacid, 1,3-propanediyl ester (9CI)) Related Products
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- 94-08-6(Ethyl p-toluate)
- 636-09-9(Diethyl terephthalate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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