CAS 53404-49-2 | 2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol | CAS Number 53404-49-2

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53404-49-2 | 2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

CAS No: 53404-49-2 Catalog No: AG01C80L MDL No:MFCD00137968

Product Description

Catalog Number:

AG01C80L

Chemical Name:

2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

CAS Number:

53404-49-2

Molecular Formula:

C10H18O2

Molecular Weight:

170.2487

MDL Number:

MFCD00137968

IUPAC Name:

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

InChI Key:

MOILFCKRQFQVFS-UHFFFAOYSA-N

SMILES:

OC1CC2CC(C1(C)O)C2(C)C

UNII:

0YBA7G0JSH

NSC Number:

71454

Properties

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

170.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

170.252g/mol

Monoisotopic Mass:

170.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Bicyclic monoterpene diols stimulate release of nitric oxide from skin cells, increase microcirculation, and elevate skin temperature.	Nitric oxide : biology and chemistry 20060801
Direct chemical synthesis of chiral methanol of 98% ee and its conversion to [(2)H1,(3)H]methyl tosylate and [(2)H1,(3)H-methyl]methionine.	Journal of the American Chemical Society 20051012