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1227187-59-8 | Cyclohexanecarboxylic acid, 4-(1-methylethoxy)-, ethyl ester, trans-
CAS No: 1227187-59-8 Catalog No: AG000J1A MDL No:
Product Description
Catalog Number:
AG000J1A
Chemical Name:
Cyclohexanecarboxylic acid, 4-(1-methylethoxy)-, ethyl ester, trans-
CAS Number:
1227187-59-8
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
ethyl 4-propan-2-yloxycyclohexane-1-carboxylate
InChI:
InChI=1S/C12H22O3/c1-4-14-12(13)10-5-7-11(8-6-10)15-9(2)3/h9-11H,4-8H2,1-3H3
InChI Key:
BACRLJUMCQABNV-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@@H]1CC[C@H](CC1)OC(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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