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100041-09-6 | Hexanedioic acid, 2-(2-butoxyethoxy)ethyl ester (9CI)
CAS No: 100041-09-6 Catalog No: AG0000MU MDL No:
Product Description
Catalog Number:
AG0000MU
Chemical Name:
Hexanedioic acid, 2-(2-butoxyethoxy)ethyl ester (9CI)
CAS Number:
100041-09-6
Molecular Formula:
C14H25O6-
Molecular Weight:
289.3447
IUPAC Name:
6-[2-(2-butoxyethoxy)ethoxy]-6-oxohexanoate
InChI:
InChI=1S/C14H26O6/c1-2-3-8-18-9-10-19-11-12-20-14(17)7-5-4-6-13(15)16/h2-12H2,1H3,(H,15,16)/p-1
InChI Key:
KEOUIRVJRXECRC-UHFFFAOYSA-M
SMILES:
CCCCOCCOCCOC(=O)CCCCC(=O)[O-]
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.165g/mol
Formal Charge:
-1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.348g/mol
Monoisotopic Mass:
289.165g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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