CAS 18017-77-1 | Cyclohexanedodecanoic acid | CAS Number 18017-77-1

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18017-77-1 | Cyclohexanedodecanoic acid

CAS No: 18017-77-1 Catalog No: AG0021RK MDL No:

Product Description

Catalog Number:

AG0021RK

Chemical Name:

Cyclohexanedodecanoic acid

CAS Number:

18017-77-1

Molecular Formula:

C18H34O2

Molecular Weight:

282.4614

IUPAC Name:

12-cyclohexyldodecanoic acid

InChI:

InChI=1S/C18H34O2/c19-18(20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h17H,1-16H2,(H,19,20)

InChI Key:

NPXJYSKVHIVNMK-UHFFFAOYSA-N

SMILES:

OC(=O)CCCCCCCCCCCC1CCCCC1

UNII:

9QS80D183O

Properties

Complexity:

232

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.256g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.468g/mol

Monoisotopic Mass:

282.256g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.7

Literature

Title	Journal
Comparative pharmacokinetic and disposition studies of [1-14C]1-eicosanylcyclohexane, a surrogate mineral hydrocarbon, in female Fischer-344 and Sprague-Dawley rats.	Drug metabolism and disposition: the biological fate of chemicals 20021201