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89053-62-3 | 1,3-Dioxolan-4-one, 2,2-diethyl-5-methyl-, (S)-
CAS No: 89053-62-3 Catalog No: AG0041DT MDL No:
Product Description
Catalog Number:
AG0041DT
Chemical Name:
1,3-Dioxolan-4-one, 2,2-diethyl-5-methyl-, (S)-
CAS Number:
89053-62-3
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
(5S)-2,2-diethyl-5-methyl-1,3-dioxolan-4-one
InChI:
InChI=1S/C8H14O3/c1-4-8(5-2)10-6(3)7(9)11-8/h6H,4-5H2,1-3H3/t6-/m0/s1
InChI Key:
HRGHPGRAQXSJMF-LURJTMIESA-N
SMILES:
CCC1(CC)OC(=O)[C@@H](O1)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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