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164586-17-8 | 1,2-Benzenedicarboxylic acid, 3,4-dibutyl-5,6-diethyl-, 1,2-dimethyl ester
CAS No: 164586-17-8 Catalog No: AG001UY5 MDL No:
Product Description
Catalog Number:
AG001UY5
Chemical Name:
1,2-Benzenedicarboxylic acid, 3,4-dibutyl-5,6-diethyl-, 1,2-dimethyl ester
CAS Number:
164586-17-8
Molecular Formula:
C22H34O4
Molecular Weight:
362.5030
IUPAC Name:
dimethyl 3,4-dibutyl-5,6-diethylbenzene-1,2-dicarboxylate
InChI:
InChI=1S/C22H34O4/c1-7-11-13-17-15(9-3)16(10-4)19(21(23)25-5)20(22(24)26-6)18(17)14-12-8-2/h7-14H2,1-6H3
InChI Key:
NRQTXKHMFAQNEK-UHFFFAOYSA-N
SMILES:
CCCCc1c(CCCC)c(CC)c(c(c1C(=O)OC)C(=O)OC)CC
Properties
Complexity:
434
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:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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