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83811-46-5 | Cyclohexanecarboxylic acid, 4-propyl-, 4-(methoxymethyl)phenyl ester
CAS No: 83811-46-5 Catalog No: AG004WK4 MDL No:
Product Description
Catalog Number:
AG004WK4
Chemical Name:
Cyclohexanecarboxylic acid, 4-propyl-, 4-(methoxymethyl)phenyl ester
CAS Number:
83811-46-5
Molecular Formula:
C18H26O3
Molecular Weight:
290.3972
IUPAC Name:
[4-(methoxymethyl)phenyl] 4-propylcyclohexane-1-carboxylate
InChI:
InChI=1S/C18H26O3/c1-3-4-14-5-9-16(10-6-14)18(19)21-17-11-7-15(8-12-17)13-20-2/h7-8,11-12,14,16H,3-6,9-10,13H2,1-2H3
InChI Key:
GIFQNGLJWMEEFT-UHFFFAOYSA-N
SMILES:
CCCC1CCC(CC1)C(=O)Oc1ccc(cc1)COC
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.188g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.403g/mol
Monoisotopic Mass:
290.188g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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