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Home > Other Heterocycles > 1807912-28-2
1807912-28-2 | (2S)-2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
CAS No: 1807912-28-2 Catalog No: AG01B9EM MDL No:MFCD28383837
Product Description
Catalog Number:
AG01B9EM
Chemical Name:
(2S)-2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
CAS Number:
1807912-28-2
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD28383837
IUPAC Name:
(2S)-2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
InChI:
InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6?,7?,10-/m0/s1
InChI Key:
VZRRCQOUNSHSGB-QIMWKCOFSA-N
SMILES:
O=C1CC2CC([C@]1(C)O)C2(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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