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290346-00-8 | 1,8-Naphthalenedicarboxylic acid, 1,8-bis(2-ethylhexyl) ester
CAS No: 290346-00-8 Catalog No: AG002V9N MDL No:
Product Description
Catalog Number:
AG002V9N
Chemical Name:
1,8-Naphthalenedicarboxylic acid, 1,8-bis(2-ethylhexyl) ester
CAS Number:
290346-00-8
Molecular Formula:
C28H40O4
Molecular Weight:
440.6148
IUPAC Name:
bis(2-ethylhexyl) naphthalene-1,8-dicarboxylate
InChI:
InChI=1S/C28H40O4/c1-5-9-13-21(7-3)19-31-27(29)24-17-11-15-23-16-12-18-25(26(23)24)28(30)32-20-22(8-4)14-10-6-2/h11-12,15-18,21-22H,5-10,13-14,19-20H2,1-4H3
InChI Key:
DQQHQBXXTPFDDP-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)c1cccc2c1c(ccc2)C(=O)OCC(CCCC)CC)CC
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.293g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.624g/mol
Monoisotopic Mass:
440.293g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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