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157518-70-2 | 1,3-Dioxolane-4-acetic acid, 2,2-dimethyl-α-(2-methylpropyl)-5-oxo-, (αR,4S)-
CAS No: 157518-70-2 Catalog No: AG001PHM MDL No:
Product Description
Catalog Number:
AG001PHM
Chemical Name:
1,3-Dioxolane-4-acetic acid, 2,2-dimethyl-α-(2-methylpropyl)-5-oxo-, (αR,4S)-
CAS Number:
157518-70-2
Molecular Formula:
C11H18O5
Molecular Weight:
230.2576
IUPAC Name:
(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid
InChI:
InChI=1S/C11H18O5/c1-6(2)5-7(9(12)13)8-10(14)16-11(3,4)15-8/h6-8H,5H2,1-4H3,(H,12,13)/t7-,8+/m1/s1
InChI Key:
ZUOVLWXPFQJYLF-SFYZADRCSA-N
SMILES:
CC(C[C@H]([C@@H]1OC(OC1=O)(C)C)C(=O)O)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
230.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.26g/mol
Monoisotopic Mass:
230.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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