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Home > Other Heterocycles > 2059923-86-1
2059923-86-1 | (5R,6R)-6-[(1-benzyl-1H-pyrazol-4-yl)oxy]bicyclo[8.1.0]undecan-5-ol
CAS No: 2059923-86-1 Catalog No: AG01BOTS MDL No:MFCD30499559
Product Description
Catalog Number:
AG01BOTS
Chemical Name:
(5R,6R)-6-[(1-benzyl-1H-pyrazol-4-yl)oxy]bicyclo[8.1.0]undecan-5-ol
CAS Number:
2059923-86-1
Molecular Formula:
C21H28N2O2
Molecular Weight:
340.4592
MDL Number:
MFCD30499559
IUPAC Name:
6-(1-benzylpyrazol-4-yl)oxybicyclo[8.1.0]undecan-5-ol
InChI:
InChI=1S/C21H28N2O2/c24-20-10-4-8-17-12-18(17)9-5-11-21(20)25-19-13-22-23(15-19)14-16-6-2-1-3-7-16/h1-3,6-7,13,15,17-18,20-21,24H,4-5,8-12,14H2
InChI Key:
LDBWSUVTSWYAPA-UHFFFAOYSA-N
SMILES:
O[C@@H]1CCCC2CC2CCC[C@H]1Oc1cnn(c1)Cc1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.215g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.467g/mol
Monoisotopic Mass:
340.215g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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