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Home Carboxys Dimethyl cyclobut-1-ene-1,2-dicarboxylate

Dimethyl cyclobut-1-ene-1,2-dicarboxylate

CAS No.:
1128-10-5
Catalog Number:
AG0081S8
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
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Product Description
Catalog Number:
AG0081S8
Chemical Name:
Dimethyl cyclobut-1-ene-1,2-dicarboxylate
CAS Number:
1128-10-5
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
MDL Number:
MFCD12761240
IUPAC Name:
dimethyl cyclobutene-1,2-dicarboxylate
InChI:
InChI=1S/C8H10O4/c1-11-7(9)5-3-4-6(5)8(10)12-2/h3-4H2,1-2H3
InChI Key:
YCWIAJMHYRJHSR-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(CC1)C(=O)OC
NSC Number:
249256
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
meso-Dimethyl 2,5-dibromo-hexa-ne-dioate. Acta crystallographica. Section E, Structure reports online 20101201
Synthesis and intramolecular reactions of trans-cyclohexyl-1,2-bisacrylate. The Journal of organic chemistry 20040305
Properties