Home Carboxys Dimethyl 1,4-cubanedicarboxylate

Dimethyl 1,4-cubanedicarboxylate

CAS No.:
29412-62-2
Catalog Number:
AG002YAO
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$302
- +
1g
95%
1 week
United States
$698
- +
Product Description
Catalog Number:
AG002YAO
Chemical Name:
Dimethyl 1,4-cubanedicarboxylate
CAS Number:
29412-62-2
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD29060101
IUPAC Name:
dimethyl cubane-1,4-dicarboxylate
InChI:
InChI=1S/C12H12O4/c1-15-9(13)11-3-6-4(11)8-5(11)7(3)12(6,8)10(14)16-2/h3-8H,1-2H3
InChI Key:
OXBMFCGRQJNAOY-UHFFFAOYSA-N
SMILES:
COC(=O)C12C3C4C2C2C1C3C42C(=O)OC
NSC Number:
124104
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Cubane, cuneane, and their carboxylates: a calorimetric, crystallographic, calculational, and conceptual coinvestigation. The Journal of organic chemistry 20050708
Properties