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18803-78-6 | Nonanedioic acid, 1,9-dinonyl ester
CAS No: 18803-78-6 Catalog No: AG002GOB MDL No:
Product Description
Catalog Number:
AG002GOB
Chemical Name:
Nonanedioic acid, 1,9-dinonyl ester
CAS Number:
18803-78-6
Molecular Formula:
C27H52O4
Molecular Weight:
440.6994
IUPAC Name:
dinonyl nonanedioate
InChI:
InChI=1S/C27H52O4/c1-3-5-7-9-11-16-20-24-30-26(28)22-18-14-13-15-19-23-27(29)31-25-21-17-12-10-8-6-4-2/h3-25H2,1-2H3
InChI Key:
KAKCWCBEABKVPK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCC
EC Number:
242-593-0
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.387g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.709g/mol
Monoisotopic Mass:
440.387g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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