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88443-98-5 | Pentanedioic acid, 3-(11,11-dicyclohexylundecyl)-3-hydroxy-
CAS No: 88443-98-5 Catalog No: AG004JK6 MDL No:
Product Description
Catalog Number:
AG004JK6
Chemical Name:
Pentanedioic acid, 3-(11,11-dicyclohexylundecyl)-3-hydroxy-
CAS Number:
88443-98-5
Molecular Formula:
C28H50O5
Molecular Weight:
466.6936
IUPAC Name:
3-(11,11-dicyclohexylundecyl)-3-hydroxypentanedioic acid
InChI:
InChI=1S/C28H50O5/c29-26(30)21-28(33,22-27(31)32)20-14-6-4-2-1-3-5-13-19-25(23-15-9-7-10-16-23)24-17-11-8-12-18-24/h23-25,33H,1-22H2,(H,29,30)(H,31,32)
InChI Key:
UMIVVRMGSZRMLD-UHFFFAOYSA-N
SMILES:
OC(=O)CC(CC(=O)O)(CCCCCCCCCCC(C1CCCCC1)C1CCCCC1)O
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.366g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
466.703g/mol
Monoisotopic Mass:
466.366g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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