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246872-25-3 | Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester
CAS No: 246872-25-3 Catalog No: AG002P12 MDL No:
Product Description
Catalog Number:
AG002P12
Chemical Name:
Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester
CAS Number:
246872-25-3
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
ethyl 2,2,6-trimethylcyclohexane-1-carboxylate
InChI:
InChI=1S/C12H22O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h9-10H,5-8H2,1-4H3
InChI Key:
TUEUDXZEBRMJEV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(C)CCCC1(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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