Home Other Building Blocks 2,2-Dimethyl-1,3-dioxolan-4-one

2,2-Dimethyl-1,3-dioxolan-4-one

CAS No.:
4158-86-5
Catalog Number:
AG003FB8
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
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Product Description
Catalog Number:
AG003FB8
Chemical Name:
2,2-Dimethyl-1,3-dioxolan-4-one
CAS Number:
4158-86-5
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
MDL Number:
MFCD03093984
IUPAC Name:
2,2-dimethyl-1,3-dioxolan-4-one
InChI:
InChI=1S/C5H8O3/c1-5(2)7-3-4(6)8-5/h3H2,1-2H3
InChI Key:
JKUCOZWILDFXMF-UHFFFAOYSA-N
SMILES:
O=C1COC(O1)(C)C
Properties
Complexity:
117  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.047g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.116g/mol
Monoisotopic Mass:
116.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Synthesis and evaluation of in vitro anti-tuberculosis activity of N-substituted glycolamides. European journal of medicinal chemistry 20090101
Properties