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Home > Other Heterocycles > 2059923-97-4
2059923-97-4 | (5R,6R)-6-[(1-ethyl-1H-pyrazol-4-yl)oxy]bicyclo[8.1.0]undecan-5-ol
CAS No: 2059923-97-4 Catalog No: AG01BOTR MDL No:MFCD30499558
Product Description
Catalog Number:
AG01BOTR
Chemical Name:
(5R,6R)-6-[(1-ethyl-1H-pyrazol-4-yl)oxy]bicyclo[8.1.0]undecan-5-ol
CAS Number:
2059923-97-4
Molecular Formula:
C16H26N2O2
Molecular Weight:
278.3898
MDL Number:
MFCD30499558
IUPAC Name:
6-(1-ethylpyrazol-4-yl)oxybicyclo[8.1.0]undecan-5-ol
InChI:
InChI=1S/C16H26N2O2/c1-2-18-11-14(10-17-18)20-16-8-4-6-13-9-12(13)5-3-7-15(16)19/h10-13,15-16,19H,2-9H2,1H3
InChI Key:
IRQAKEPHVODMKT-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1)O[C@@H]1CCCC2CC2CCC[C@H]1O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.199g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.396g/mol
Monoisotopic Mass:
278.199g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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