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89104-23-4 | 1,3-Dioxolan-4-one, 2,2-dimethyl-5-(1-methylethyl)-, (S)-
CAS No: 89104-23-4 Catalog No: AG003ZLV MDL No:
Product Description
Catalog Number:
AG003ZLV
Chemical Name:
1,3-Dioxolan-4-one, 2,2-dimethyl-5-(1-methylethyl)-, (S)-
CAS Number:
89104-23-4
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
(5S)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-one
InChI:
InChI=1S/C8H14O3/c1-5(2)6-7(9)11-8(3,4)10-6/h5-6H,1-4H3/t6-/m0/s1
InChI Key:
IYTDDIHEQOBLKU-LURJTMIESA-N
SMILES:
CC([C@@H]1OC(OC1=O)(C)C)C
Properties
Complexity:
172
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:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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