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168200-13-3

168200-13-3 | Dodecanoic acid, 5,5-dimethyl-3-oxo-1-cyclohexen-1-yl ester

CAS No: 168200-13-3 Catalog No: AG001XXC MDL No:

Product Description

Catalog Number:
AG001XXC
Chemical Name:
Dodecanoic acid, 5,5-dimethyl-3-oxo-1-cyclohexen-1-yl ester
CAS Number:
168200-13-3
Molecular Formula:
C20H34O3
Molecular Weight:
322.4822
IUPAC Name:
(5,5-dimethyl-3-oxocyclohexen-1-yl) dodecanoate
InChI:
InChI=1S/C20H34O3/c1-4-5-6-7-8-9-10-11-12-13-19(22)23-18-14-17(21)15-20(2,3)16-18/h14H,4-13,15-16H2,1-3H3
InChI Key:
GQVSJMYYNXGAQP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OC1=CC(=O)CC(C1)(C)C

Properties

Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.251g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.489g/mol
Monoisotopic Mass:
322.251g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4  

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