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1169-98-8 | 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-(2-ethylhexyl) ester
CAS No: 1169-98-8 Catalog No: AG000DD3 MDL No:
Product Description
Catalog Number:
AG000DD3
Chemical Name:
1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-(2-ethylhexyl) ester
CAS Number:
1169-98-8
Molecular Formula:
C22H32O4
Molecular Weight:
360.4871
IUPAC Name:
2-O-cyclohexyl 1-O-(2-ethylhexyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C22H32O4/c1-3-5-11-17(4-2)16-25-21(23)19-14-9-10-15-20(19)22(24)26-18-12-7-6-8-13-18/h9-10,14-15,17-18H,3-8,11-13,16H2,1-2H3
InChI Key:
GULVUHANCCJWSS-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)c1ccccc1C(=O)OC1CCCCC1)CC
EC Number:
214-624-8
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.23g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.494g/mol
Monoisotopic Mass:
360.23g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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