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Home > Other Heterocycles > 1398833-81-2
1398833-81-2 | 3-OXABICYCLO[3.1.0]HEXAN-6-YLMETHANOL
CAS No: 1398833-81-2 Catalog No: AG00HVPI MDL No:MFCD22690452
Product Description
Catalog Number:
AG00HVPI
Chemical Name:
3-OXABICYCLO[3.1.0]HEXAN-6-YLMETHANOL
CAS Number:
1398833-81-2
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD22690452
IUPAC Name:
3-oxabicyclo[3.1.0]hexan-6-ylmethanol
InChI:
InChI=1S/C6H10O2/c7-1-4-5-2-8-3-6(4)5/h4-7H,1-3H2
InChI Key:
FUSRDACVJSHHNA-UHFFFAOYSA-N
SMILES:
OCC1C2C1COC2
Properties
Complexity:
92.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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