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Home > Other Heterocycles > 88444-08-0
88444-08-0 | Pentanedioic acid, 3-(11-bicyclo[2.2.1]hept-2-ylundecyl)-3-hydroxy-
CAS No: 88444-08-0 Catalog No: AG004EMX MDL No:
Product Description
Catalog Number:
AG004EMX
Chemical Name:
Pentanedioic acid, 3-(11-bicyclo[2.2.1]hept-2-ylundecyl)-3-hydroxy-
CAS Number:
88444-08-0
Molecular Formula:
C23H40O5
Molecular Weight:
396.5607
IUPAC Name:
3-[11-(2-bicyclo[2.2.1]heptanyl)undecyl]-3-hydroxypentanedioic acid
InChI:
InChI=1S/C23H40O5/c24-21(25)16-23(28,17-22(26)27)13-9-7-5-3-1-2-4-6-8-10-19-14-18-11-12-20(19)15-18/h18-20,28H,1-17H2,(H,24,25)(H,26,27)
InChI Key:
DZXDLDYVFCQYCC-UHFFFAOYSA-N
SMILES:
OC(=O)CC(CC(=O)O)(CCCCCCCCCCCC1CC2CC1CC2)O
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.288g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
396.568g/mol
Monoisotopic Mass:
396.288g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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