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Home > Other Heterocycles > 2137099-53-5
2137099-53-5 | [rac-(1r,4s)-1-methyl-2-oxabicyclo[2.2.2]octan-4-yl]methanol, trans
CAS No: 2137099-53-5 Catalog No: AG01EMRF MDL No:MFCD31567061
Product Description
Catalog Number:
AG01EMRF
Chemical Name:
[rac-(1r,4s)-1-methyl-2-oxabicyclo[2.2.2]octan-4-yl]methanol, trans
CAS Number:
2137099-53-5
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD31567061
IUPAC Name:
(1-methyl-2-oxabicyclo[2.2.2]octan-4-yl)methanol
InChI:
InChI=1S/C9H16O2/c1-8-2-4-9(6-10,5-3-8)7-11-8/h10H,2-7H2,1H3
InChI Key:
OWDJNIXSANHEDW-UHFFFAOYSA-N
SMILES:
OC[C@]12CC[C@](CC1)(OC2)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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