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Home > Other Heterocycles > 129850-56-2

129850-56-2

129850-56-2 | Bicyclo[3.1.1]heptan-3-one, 2-hydroxy-6,6-dimethyl-, (1S,2S,5S)-

CAS No: 129850-56-2 Catalog No: AG000TQ6 MDL No:

Product Description

Catalog Number:
AG000TQ6
Chemical Name:
Bicyclo[3.1.1]heptan-3-one, 2-hydroxy-6,6-dimethyl-, (1S,2S,5S)-
CAS Number:
129850-56-2
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
(1S,2S,5S)-2-hydroxy-6,6-dimethylbicyclo[3.1.1]heptan-3-one
InChI:
InChI=1S/C9H14O2/c1-9(2)5-3-6(9)8(11)7(10)4-5/h5-6,8,11H,3-4H2,1-2H3/t5-,6+,8-/m0/s1
InChI Key:
WPOLECSBBZQNPB-BBVRLYRLSA-N
SMILES:
O=C1C[C@@H]2C[C@H]([C@@H]1O)C2(C)C

Properties

Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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