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89837-83-2 | Nonanedioic acid, bis(1-ethylpropyl) ester
CAS No: 89837-83-2 Catalog No: AG003XEY MDL No:
Product Description
Catalog Number:
AG003XEY
Chemical Name:
Nonanedioic acid, bis(1-ethylpropyl) ester
CAS Number:
89837-83-2
Molecular Formula:
C19H36O4
Molecular Weight:
328.4867
IUPAC Name:
dipentan-3-yl nonanedioate
InChI:
InChI=1S/C19H36O4/c1-5-16(6-2)22-18(20)14-12-10-9-11-13-15-19(21)23-17(7-3)8-4/h16-17H,5-15H2,1-4H3
InChI Key:
MZHWPEFVDZZOKM-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)CCCCCCCC(=O)OC(CC)CC)CC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.261g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.493g/mol
Monoisotopic Mass:
328.261g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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