CAS 1845-25-6 | (1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one | CAS Number 1845-25-6

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1845-25-6 | (1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one

CAS No: 1845-25-6 Catalog No: AG003BJL MDL No:MFCD00040556

Product Description

Catalog Number:

AG003BJL

Chemical Name:

(1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one

CAS Number:

1845-25-6

Molecular Formula:

C10H16O2

Molecular Weight:

168.2328

MDL Number:

MFCD00040556

IUPAC Name:

(1S,2S,5S)-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-BYULHYEWSA-N

SMILES:

O=C1C[C@@H]2C[C@H]([C@]1(C)O)C2(C)C

Properties

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.236g/mol

Monoisotopic Mass:

168.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
A general procedure for the enantioselective synthesis of the minor tobacco alkaloids nornicotine, anabasine, and anatabine.	The AAPS journal 20050901
Synthesis, theoretical and structural analyses, and enantiopharmacology of 3-carboxy homologs of AMPA.	Chirality 20040801