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114309-03-4 | Cyclohexanecarboxylic acid, cyclododecyl ester
CAS No: 114309-03-4 Catalog No: AG000B1B MDL No:
Product Description
Catalog Number:
AG000B1B
Chemical Name:
Cyclohexanecarboxylic acid, cyclododecyl ester
CAS Number:
114309-03-4
Molecular Formula:
C19H34O2
Molecular Weight:
294.4721
IUPAC Name:
cyclododecyl cyclohexanecarboxylate
InChI:
InChI=1S/C19H34O2/c20-19(17-13-9-8-10-14-17)21-18-15-11-6-4-2-1-3-5-7-12-16-18/h17-18H,1-16H2
InChI Key:
ZURFXDVOFUTNPA-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)OC1CCCCCCCCCCC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.256g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.479g/mol
Monoisotopic Mass:
294.256g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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