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Home > Other Heterocycles > 2059923-81-6
2059923-81-6 | (5R,6R)-6-{[1-(propan-2-yl)-1H-pyrazol-4-yl]oxy}bicyclo[8.1.0]undecan-5-ol
CAS No: 2059923-81-6 Catalog No: AG01BOTQ MDL No:MFCD30499557
Product Description
Catalog Number:
AG01BOTQ
Chemical Name:
(5R,6R)-6-{[1-(propan-2-yl)-1H-pyrazol-4-yl]oxy}bicyclo[8.1.0]undecan-5-ol
CAS Number:
2059923-81-6
Molecular Formula:
C17H28N2O2
Molecular Weight:
292.4164
MDL Number:
MFCD30499557
IUPAC Name:
6-(1-propan-2-ylpyrazol-4-yl)oxybicyclo[8.1.0]undecan-5-ol
InChI:
InChI=1S/C17H28N2O2/c1-12(2)19-11-15(10-18-19)21-17-8-4-6-14-9-13(14)5-3-7-16(17)20/h10-14,16-17,20H,3-9H2,1-2H3
InChI Key:
XWDZVMXEJSXYQR-UHFFFAOYSA-N
SMILES:
O[C@@H]1CCCC2CC2CCC[C@H]1Oc1cnn(c1)C(C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.215g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.423g/mol
Monoisotopic Mass:
292.215g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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