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85851-92-9 | 1,2-Benzenedicarboxylicacid, 2-ethylhexyl isononyl ester (9CI)
CAS No: 85851-92-9 Catalog No: AG004XDT MDL No:
Product Description
Catalog Number:
AG004XDT
Chemical Name:
1,2-Benzenedicarboxylicacid, 2-ethylhexyl isononyl ester (9CI)
CAS Number:
85851-92-9
Molecular Formula:
C25H40O4
Molecular Weight:
404.5827
IUPAC Name:
2-O-(2-ethylhexyl) 1-O-(7-methyloctyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C25H40O4/c1-5-7-15-21(6-2)19-29-25(27)23-17-12-11-16-22(23)24(26)28-18-13-9-8-10-14-20(3)4/h11-12,16-17,20-21H,5-10,13-15,18-19H2,1-4H3
InChI Key:
SUPDBLGQIUQVLH-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)CC
EC Number:
288-652-4
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.293g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.591g/mol
Monoisotopic Mass:
404.293g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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