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13846-19-0 | 1,4-Benzenedicarboxylic acid, 1,4-diethenyl ester
CAS No: 13846-19-0 Catalog No: AG00197K MDL No:
Product Description
Catalog Number:
AG00197K
Chemical Name:
1,4-Benzenedicarboxylic acid, 1,4-diethenyl ester
CAS Number:
13846-19-0
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
IUPAC Name:
bis(ethenyl) benzene-1,4-dicarboxylate
InChI:
InChI=1S/C12H10O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h3-8H,1-2H2
InChI Key:
IHXBXGHGYCSRAP-UHFFFAOYSA-N
SMILES:
C=COC(=O)c1ccc(cc1)C(=O)OC=C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Polymeric cracking of waste polyethylene terephthalate to chemicals and energy. | Journal of the Air & Waste Management Association (1995) 20110701 |
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