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133205-68-2 | Cyclododecanecarboxylic acid, 1-(2-methylpropyl)-2-oxo-, methyl ester
CAS No: 133205-68-2 Catalog No: AG0014EL MDL No:
Product Description
Catalog Number:
AG0014EL
Chemical Name:
Cyclododecanecarboxylic acid, 1-(2-methylpropyl)-2-oxo-, methyl ester
CAS Number:
133205-68-2
Molecular Formula:
C18H32O3
Molecular Weight:
296.4449
IUPAC Name:
methyl 1-(2-methylpropyl)-2-oxocyclododecane-1-carboxylate
InChI:
InChI=1S/C18H32O3/c1-15(2)14-18(17(20)21-3)13-11-9-7-5-4-6-8-10-12-16(18)19/h15H,4-14H2,1-3H3
InChI Key:
WMUYRJLAXFCWLL-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCCCCCCCCCC1=O)CC(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.235g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.451g/mol
Monoisotopic Mass:
296.235g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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