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Home Carboxys Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate

Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate

CAS No.:
115913-32-1
Catalog Number:
AG000H3K
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$36
- +
250mg
95%
In Stock USA
United States
$66
- +
1g
95%
In Stock USA
United States
$132
- +
Product Description
Catalog Number:
AG000H3K
Chemical Name:
Dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
CAS Number:
115913-32-1
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
MDL Number:
MFCD23106317
IUPAC Name:
dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylate
InChI:
InChI=1S/C9H12O4/c1-12-6(10)8-3-9(4-8,5-8)7(11)13-2/h3-5H2,1-2H3
InChI Key:
TWMHLEILGHXLSY-UHFFFAOYSA-N
SMILES:
COC(=O)C12CC(C1)(C2)C(=O)OC
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Partially bridge-fluorinated dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylates: preparation and NMR spectra. Journal of the American Chemical Society 20010418
Properties