Bicyclo[3.1.1]heptane-2,3-diol, 2,6,6-trimethyl-, (1R,2R,3S,5R)-


Chemical Name: Bicyclo[3.1.1]heptane-2,3-diol, 2,6,6-trimethyl-, (1R,2R,3S,5R)-
CAS Number: 22422-34-0
Product Number: AG0032BI(AGN-PC-0O80C9)
Synonyms:
MDL No: MFCD09955216
Molecular Formula: C10H18O2
Molecular Weight: 170.2487

Identification/Properties


Properties
MP:
57-59 °C(lit.)
BP:
263.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.4494 (estimate)
Computed Properties
Molecular Weight:
170.252g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
170.131g/mol
Monoisotopic Mass:
170.131g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
212
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H227-H315-H319-H335
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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