Home Carboxys 2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylic acid

2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylic acid

CAS No.:
57672-01-2
Catalog Number:
AG01DWIC
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
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Product Description
Catalog Number:
AG01DWIC
Chemical Name:
2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylic acid
CAS Number:
57672-01-2
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD24514822
IUPAC Name:
2,2,4,5-tetramethyl-1,3-dioxolane-4-carboxylic acid
InChI:
InChI=1S/C8H14O4/c1-5-8(4,6(9)10)12-7(2,3)11-5/h5H,1-4H3,(H,9,10)
InChI Key:
UQNTZJDBGGGJQK-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)OC(OC1C)(C)C
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties