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89053-63-4 | 1,3-Dioxolan-4-one, 2,2-dimethyl-5-(2-methylpropyl)-, (S)-
CAS No: 89053-63-4 Catalog No: AG0041DS MDL No:
Product Description
Catalog Number:
AG0041DS
Chemical Name:
1,3-Dioxolan-4-one, 2,2-dimethyl-5-(2-methylpropyl)-, (S)-
CAS Number:
89053-63-4
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
(5S)-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolan-4-one
InChI:
InChI=1S/C9H16O3/c1-6(2)5-7-8(10)12-9(3,4)11-7/h6-7H,5H2,1-4H3/t7-/m0/s1
InChI Key:
BOAAVKLEAMHGFV-ZETCQYMHSA-N
SMILES:
CC(C[C@@H]1OC(OC1=O)(C)C)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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