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129175-17-3 | 4-Pyridineacetic acid, 4-(1,1-dimethylethyl)cyclohexyl ester, trans- (9CI)
CAS No: 129175-17-3 Catalog No: AG000YXP MDL No:
Product Description
Catalog Number:
AG000YXP
Chemical Name:
4-Pyridineacetic acid, 4-(1,1-dimethylethyl)cyclohexyl ester, trans- (9CI)
CAS Number:
129175-17-3
Molecular Formula:
C17H25NO2
Molecular Weight:
275.3859
IUPAC Name:
(4-tert-butylcyclohexyl) 2-pyridin-4-ylacetate
InChI:
InChI=1S/C17H25NO2/c1-17(2,3)14-4-6-15(7-5-14)20-16(19)12-13-8-10-18-11-9-13/h8-11,14-15H,4-7,12H2,1-3H3
InChI Key:
IKQALCFUJBVZDS-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccncc1)OC1CCC(CC1)C(C)(C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.392g/mol
Monoisotopic Mass:
275.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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