Home Carboxys 1,1-Dimethyl 3-oxocyclobutane-1,1-dicarboxylate

1,1-Dimethyl 3-oxocyclobutane-1,1-dicarboxylate

CAS No.:
1486409-21-5
Catalog Number:
AG001L30
Molecular Formula:
C8H10O5
Molecular Weight:
186.1620
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Product Description
Catalog Number:
AG001L30
Chemical Name:
1,1-Dimethyl 3-oxocyclobutane-1,1-dicarboxylate
CAS Number:
1486409-21-5
Molecular Formula:
C8H10O5
Molecular Weight:
186.1620
MDL Number:
MFCD21122007
IUPAC Name:
dimethyl 3-oxocyclobutane-1,1-dicarboxylate
InChI:
InChI=1S/C8H10O5/c1-12-6(10)8(7(11)13-2)3-5(9)4-8/h3-4H2,1-2H3
InChI Key:
NHQJSSOZLZSFFQ-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC(=O)C1)C(=O)OC
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.053g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.163g/mol
Monoisotopic Mass:
186.053g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties