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15805-75-1 | Butanedioic acid, 1,4-dihexyl ester
CAS No: 15805-75-1 Catalog No: AG001PYB MDL No:
Product Description
Catalog Number:
AG001PYB
Chemical Name:
Butanedioic acid, 1,4-dihexyl ester
CAS Number:
15805-75-1
Molecular Formula:
C16H30O4
Molecular Weight:
286.4070
IUPAC Name:
dihexyl butanedioate
InChI:
InChI=1S/C16H30O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h3-14H2,1-2H3
InChI Key:
XEYHWMQDXTVNJW-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)CCC(=O)OCCCCCC
EC Number:
239-905-2
NSC Number:
406231
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:
5
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