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75673-16-4 | HEXYL 2-ETHYLHEXYL PHTHALATE
CAS No: 75673-16-4 Catalog No: AG005IXR MDL No:
Product Description
Catalog Number:
AG005IXR
Chemical Name:
HEXYL 2-ETHYLHEXYL PHTHALATE
CAS Number:
75673-16-4
Molecular Formula:
C22H34O4
Molecular Weight:
362.5030
IUPAC Name:
2-O-(2-ethylhexyl) 1-O-hexyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C22H34O4/c1-4-7-9-12-16-25-21(23)19-14-10-11-15-20(19)22(24)26-17-18(6-3)13-8-5-2/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3
InChI Key:
BZGXQJVPKYXMDX-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)c1ccccc1C(=O)OCC(CCCC)CC
NSC Number:
17074
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.246g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.51g/mol
Monoisotopic Mass:
362.246g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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