Home Carboxys Methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate

Methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate

CAS No.:
94994-15-7
Catalog Number:
AG005TL5
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$266
- +
500mg
95%
In Stock USA
United States
$655
- +
Product Description
Catalog Number:
AG005TL5
Chemical Name:
Methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate
CAS Number:
94994-15-7
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
MDL Number:
MFCD20275559
IUPAC Name:
methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylate
InChI:
InChI=1S/C11H18O3/c1-14-9(13)11-5-2-10(8-12,3-6-11)4-7-11/h12H,2-8H2,1H3
InChI Key:
CNDFZCWNUACFHZ-UHFFFAOYSA-N
SMILES:
OCC12CCC(CC1)(CC2)C(=O)OC
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties