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20602-87-3 | Ethanedioic acid, 1,2-dihexyl ester
CAS No: 20602-87-3 Catalog No: AG002AHE MDL No:
Product Description
Catalog Number:
AG002AHE
Chemical Name:
Ethanedioic acid, 1,2-dihexyl ester
CAS Number:
20602-87-3
Molecular Formula:
C14H26O4
Molecular Weight:
258.3538
IUPAC Name:
dihexyl oxalate
InChI:
InChI=1S/C14H26O4/c1-3-5-7-9-11-17-13(15)14(16)18-12-10-8-6-4-2/h3-12H2,1-2H3
InChI Key:
VIGLJKSIDLNMGH-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)C(=O)OCCCCCC
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.358g/mol
Monoisotopic Mass:
258.183g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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