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88444-20-6 | Pentanedioic acid, 3-(8-cyclohexyloctyl)-3-hydroxy-
CAS No: 88444-20-6 Catalog No: AG004JK3 MDL No:
Product Description
Catalog Number:
AG004JK3
Chemical Name:
Pentanedioic acid, 3-(8-cyclohexyloctyl)-3-hydroxy-
CAS Number:
88444-20-6
Molecular Formula:
C19H34O5
Molecular Weight:
342.4703
IUPAC Name:
3-(8-cyclohexyloctyl)-3-hydroxypentanedioic acid
InChI:
InChI=1S/C19H34O5/c20-17(21)14-19(24,15-18(22)23)13-9-4-2-1-3-6-10-16-11-7-5-8-12-16/h16,24H,1-15H2,(H,20,21)(H,22,23)
InChI Key:
SVPTXEYGBZSOFQ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(CC(=O)O)(CCCCCCCCC1CCCCC1)O
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.241g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
342.476g/mol
Monoisotopic Mass:
342.241g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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