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Home > Other Heterocycles > 2461-22-5
2461-22-5 | 7-Oxabicyclo[4.1.0]heptan-3-ol
CAS No: 2461-22-5 Catalog No: AG002ORA MDL No:
Product Description
Catalog Number:
AG002ORA
Chemical Name:
7-Oxabicyclo[4.1.0]heptan-3-ol
CAS Number:
2461-22-5
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
IUPAC Name:
7-oxabicyclo[4.1.0]heptan-3-ol
InChI:
InChI=1S/C6H10O2/c7-4-1-2-5-6(3-4)8-5/h4-7H,1-3H2
InChI Key:
OULAQVCZRNCPNC-UHFFFAOYSA-N
SMILES:
OC1CCC2C(C1)O2
Properties
Complexity:
103
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:
0
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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