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35176-78-4 | Isophthalic acid, neopentyl glycol, ethylene glycol, dimethyl terephthalate polyester resin
CAS No: 35176-78-4 Catalog No: AG007FKD MDL No:
Product Description
Catalog Number:
AG007FKD
Chemical Name:
Isophthalic acid, neopentyl glycol, ethylene glycol, dimethyl terephthalate polyester resin
CAS Number:
35176-78-4
Molecular Formula:
C25H34O12
Molecular Weight:
526.5303
IUPAC Name:
benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol
InChI:
InChI=1S/C10H10O4.C8H6O4.C5H12O2.C2H6O2/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;9-7(10)5-2-1-3-6(4-5)8(11)12;1-5(2,3-6)4-7;3-1-2-4/h3-6H,1-2H3;1-4H,(H,9,10)(H,11,12);6-7H,3-4H2,1-2H3;3-4H,1-2H2
InChI Key:
DKQRXDANCOPCRO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)C(=O)O.OCC(CO)(C)C.COC(=O)c1ccc(cc1)C(=O)OC.OCCO
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
526.205g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
526.535g/mol
Monoisotopic Mass:
526.205g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
208A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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