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84777-46-8 | Hexanedioic acid, mixed esters with 1,4-butanediol, isodecanol and neopentyl glycol
CAS No: 84777-46-8 Catalog No: AG00GD66 MDL No:
Product Description
Catalog Number:
AG00GD66
Chemical Name:
Hexanedioic acid, mixed esters with 1,4-butanediol, isodecanol and neopentyl glycol
CAS Number:
84777-46-8
IUPAC Name:
butane-1,4-diol;2,2-dimethylpropane-1,3-diol;hexanedioic acid;8-methylnonan-1-ol
InChI:
InChI=1S/C10H22O.C6H10O4.C5H12O2.C4H10O2/c1-10(2)8-6-4-3-5-7-9-11;7-5(8)3-1-2-4-6(9)10;1-5(2,3-6)4-7;5-3-1-2-4-6/h10-11H,3-9H2,1-2H3;1-4H2,(H,7,8)(H,9,10);6-7H,3-4H2,1-2H3;5-6H,1-4H2
InChI Key:
NWVWUTDPOQRPQU-UHFFFAOYSA-N
EC Number:
284-074-1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.377g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
498.698g/mol
Monoisotopic Mass:
498.377g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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