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117438-31-0 | 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, 4-propanoate, (4S)-
CAS No: 117438-31-0 Catalog No: AG000EB6 MDL No:
Product Description
Catalog Number:
AG000EB6
Chemical Name:
1,3-Dioxolane-4-methanol, 2,2-dimethyl-, 4-propanoate, (4S)-
CAS Number:
117438-31-0
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;propanoic acid
InChI:
InChI=1S/C6H12O3.C3H6O2/c1-6(2)8-4-5(3-7)9-6;1-2-3(4)5/h5,7H,3-4H2,1-2H3;2H2,1H3,(H,4,5)
InChI Key:
QOZRLJNLBGCGFL-UHFFFAOYSA-N
SMILES:
CCC(=O)OC[C@@H]1COC(O1)(C)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.238g/mol
Monoisotopic Mass:
206.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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