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Home > Other Heterocycles > 57089-71-1
57089-71-1 | (1S,3S,4R,5S)-4,6,6-trimethylbicyclo[3.1.1]heptane-3,4-diol
CAS No: 57089-71-1 Catalog No: AG01DEW8 MDL No:MFCD00010365
Product Description
Catalog Number:
AG01DEW8
Chemical Name:
(1S,3S,4R,5S)-4,6,6-trimethylbicyclo[3.1.1]heptane-3,4-diol
CAS Number:
57089-71-1
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD00010365
IUPAC Name:
(1S,2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
InChI:
InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8-,10+/m0/s1
InChI Key:
MOILFCKRQFQVFS-AZQAYCESSA-N
SMILES:
O[C@H]1C[C@@H]2C[C@H]([C@@]1(C)O)C2(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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