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Home > Other Heterocycles > 135637-92-2
135637-92-2 | [(1R,5S)-3-Oxabicyclo[3.1.0]hexan-6-yl]methanol
CAS No: 135637-92-2 Catalog No: AG019DK8 MDL No:MFCD28100850
Product Description
Catalog Number:
AG019DK8
Chemical Name:
[(1R,5S)-3-Oxabicyclo[3.1.0]hexan-6-yl]methanol
CAS Number:
135637-92-2
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD28100850
IUPAC Name:
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanol
InChI:
InChI=1S/C6H10O2/c7-1-4-5-2-8-3-6(4)5/h4-7H,1-3H2/t4?,5-,6+
InChI Key:
FUSRDACVJSHHNA-GOHHTPAQSA-N
SMILES:
OCC1[C@@H]2[C@H]1COC2
Properties
Complexity:
92.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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