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25950-34-9 | Adipic acid, neopentyl glycol, trimethylolpropane, isophthalic acidpolymer
CAS No: 25950-34-9 Catalog No: AG007N6J MDL No:
Product Description
Catalog Number:
AG007N6J
Chemical Name:
Adipic acid, neopentyl glycol, trimethylolpropane, isophthalic acidpolymer
CAS Number:
25950-34-9
Molecular Formula:
C25H42O13
Molecular Weight:
550.5932
IUPAC Name:
benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid
InChI:
InChI=1S/C8H6O4.C6H10O4.C6H14O3.C5H12O2/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9;1-5(2,3-6)4-7/h1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3;6-7H,3-4H2,1-2H3
InChI Key:
IEDXXJZTLGWDSD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)C(=O)O.OC(=O)CCCCC(=O)O.CCC(CO)(CO)CO.OCC(CO)(C)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.263g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
550.598g/mol
Monoisotopic Mass:
550.263g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
250A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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