Cas no 26638-01-7 (Benzenedicarboxylicacid, C,C'-dimethyl ester)
26638-01-7 structure
Product Name:Benzenedicarboxylicacid, C,C'-dimethyl ester
CAS No:26638-01-7
MF:C30H30O12
MW:582.552010059357
CID:258267
PubChem ID:33563
Update Time:2025-04-19
Benzenedicarboxylicacid, C,C'-dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenedicarboxylicacid, C,C'-dimethyl ester
- dimethyl benzene-1,2-dicarboxylate,dimethyl benzene-1,3-dicarboxylate,dimethyl benzene-1,4-dicarboxylate
- DIMETHYL BENZENEDICARBOXYLATE
- 26638-01-7
- DTXSID70181178
-
- Inchi： 1S/3C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;1-13-9(11)7-4-3-5-8(6-7)10(12)14-2;1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3*3-6H,1-2H3
- InChI Key： LYMMFQAKPGXADS-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC=CC=1C(=O)OC)=O.O(C)C(C1C=CC=C(C(=O)OC)C=1)=O.O(C)C(C1C=CC(C(=O)OC)=CC=1)=O
Computed Properties
- Exact Mass: 582.1737
- Monoisotopic Mass: 582.173726
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 42
- Rotatable Bond Count: 12
- Complexity: 595
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 158
Experimental Properties
- Boiling Point: 285°C at 760 mmHg
- Flash Point: 148°C
- PSA: 157.8
Benzenedicarboxylicacid, C,C'-dimethyl ester Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
26638-01-7 (Benzenedicarboxylicacid, C,C'-dimethyl ester) Related Products
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