Home Carboxys Dimethyl cyclobutane-1,2-dicarboxylate

Dimethyl cyclobutane-1,2-dicarboxylate

CAS No.:
3396-20-1
Catalog Number:
AG00CHCX
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
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Purity
Availability
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Price(USD)
Quantity
  
100mg
95%
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United States
$164
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Product Description
Catalog Number:
AG00CHCX
Chemical Name:
Dimethyl cyclobutane-1,2-dicarboxylate
CAS Number:
3396-20-1
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD01734157
IUPAC Name:
dimethyl cyclobutane-1,2-dicarboxylate
InChI:
InChI=1S/C8H12O4/c1-11-7(9)5-3-4-6(5)8(10)12-2/h5-6H,3-4H2,1-2H3
InChI Key:
WEPHXFVXUXMCLE-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC1C(=O)OC
NSC Number:
527269
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Computational study of the self-initiation mechanism in thermal polymerization of methyl acrylate. The journal of physical chemistry. A 20091008
Properties