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20985-13-1 | Hexanedioic acid, 1,6-bis(4-hydroxybutyl) ester
CAS No: 20985-13-1 Catalog No: AG002KFP MDL No:
Product Description
Catalog Number:
AG002KFP
Chemical Name:
Hexanedioic acid, 1,6-bis(4-hydroxybutyl) ester
CAS Number:
20985-13-1
Molecular Formula:
C14H26O6
Molecular Weight:
290.3526
IUPAC Name:
bis(4-hydroxybutyl) hexanedioate
InChI:
InChI=1S/C14H26O6/c15-9-3-5-11-19-13(17)7-1-2-8-14(18)20-12-6-4-10-16/h15-16H,1-12H2
InChI Key:
MIPAMDMBINCYQD-UHFFFAOYSA-N
SMILES:
OCCCCOC(=O)CCCCC(=O)OCCCCO
EC Number:
244-138-1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.356g/mol
Monoisotopic Mass:
290.173g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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