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Home > Other Heterocycles > 2059923-87-2
2059923-87-2 | (5R,6R)-6-[(1-methyl-1H-pyrazol-4-yl)oxy]bicyclo[8.1.0]undecan-5-ol
CAS No: 2059923-87-2 Catalog No: AG01BOTT MDL No:MFCD30499560
Product Description
Catalog Number:
AG01BOTT
Chemical Name:
(5R,6R)-6-[(1-methyl-1H-pyrazol-4-yl)oxy]bicyclo[8.1.0]undecan-5-ol
CAS Number:
2059923-87-2
Molecular Formula:
C15H24N2O2
Molecular Weight:
264.3633
MDL Number:
MFCD30499560
IUPAC Name:
6-(1-methylpyrazol-4-yl)oxybicyclo[8.1.0]undecan-5-ol
InChI:
InChI=1S/C15H24N2O2/c1-17-10-13(9-16-17)19-15-7-3-5-12-8-11(12)4-2-6-14(15)18/h9-12,14-15,18H,2-8H2,1H3
InChI Key:
IDTDDBXRCRTKGB-UHFFFAOYSA-N
SMILES:
O[C@@H]1CCCC2CC2CCC[C@H]1Oc1cnn(c1)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.184g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.369g/mol
Monoisotopic Mass:
264.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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