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4654-18-6 | Isophthalic acid, bis-n-octyl ester
CAS No: 4654-18-6 Catalog No: AG01FNZF MDL No:
Product Description
Catalog Number:
AG01FNZF
Chemical Name:
Isophthalic acid, bis-n-octyl ester
CAS Number:
4654-18-6
IUPAC Name:
dioctyl benzene-1,3-dicarboxylate
InChI:
InChI=1S/C24H38O4/c1-3-5-7-9-11-13-18-27-23(25)21-16-15-17-22(20-21)24(26)28-19-14-12-10-8-6-4-2/h15-17,20H,3-14,18-19H2,1-2H3
InChI Key:
LERGDXJITDVDBZ-UHFFFAOYSA-N
NSC Number:
17082
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.277g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.564g/mol
Monoisotopic Mass:
390.277g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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