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14027-78-2 | Hexanedioic acid, 1,6-dipentyl ester
CAS No: 14027-78-2 Catalog No: AG001C88 MDL No:
Product Description
Catalog Number:
AG001C88
Chemical Name:
Hexanedioic acid, 1,6-dipentyl ester
CAS Number:
14027-78-2
Molecular Formula:
C16H30O4
Molecular Weight:
286.4070
IUPAC Name:
dipentyl hexanedioate
InChI:
InChI=1S/C16H30O4/c1-3-5-9-13-19-15(17)11-7-8-12-16(18)20-14-10-6-4-2/h3-14H2,1-2H3
InChI Key:
UPPJFVSCGFPFHM-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)CCCCC(=O)OCCCCC
EC Number:
237-866-6
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.214g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.412g/mol
Monoisotopic Mass:
286.214g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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