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133373-46-3 | Cyclohexanecarboxylic acid, 1,2-dicyclohexyl-2-oxoethyl ester
CAS No: 133373-46-3 Catalog No: AG0014R0 MDL No:
Product Description
Catalog Number:
AG0014R0
Chemical Name:
Cyclohexanecarboxylic acid, 1,2-dicyclohexyl-2-oxoethyl ester
CAS Number:
133373-46-3
Molecular Formula:
C21H34O3
Molecular Weight:
334.4929
IUPAC Name:
(1,2-dicyclohexyl-2-oxoethyl) cyclohexanecarboxylate
InChI:
InChI=1S/C21H34O3/c22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24-21(23)18-14-8-3-9-15-18/h16-18,20H,1-15H2
InChI Key:
MUGFFWUQPPRBMT-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)OC(C(=O)C1CCCCC1)C1CCCCC1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.251g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.5g/mol
Monoisotopic Mass:
334.251g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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