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Home > Other Heterocycles > 244279-85-4
244279-85-4 | 6-Oxabicyclo[3.1.0]hexane-3,3-dimethanol
CAS No: 244279-85-4 Catalog No: AG006UYY MDL No:
Product Description
Catalog Number:
AG006UYY
Chemical Name:
6-Oxabicyclo[3.1.0]hexane-3,3-dimethanol
CAS Number:
244279-85-4
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
[3-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-yl]methanol
InChI:
InChI=1S/C7H12O3/c8-3-7(4-9)1-5-6(2-7)10-5/h5-6,8-9H,1-4H2
InChI Key:
NULXVOSSTBNZLA-UHFFFAOYSA-N
SMILES:
OCC1(CO)CC2C(C1)O2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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