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128969-93-7 | Propanoic acid, 2,2-dimethyl-, 2-(2S)-2-oxiranylethyl ester
CAS No: 128969-93-7 Catalog No: AG000YQC MDL No:
Product Description
Catalog Number:
AG000YQC
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 2-(2S)-2-oxiranylethyl ester
CAS Number:
128969-93-7
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
2-[(2S)-oxiran-2-yl]ethyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C9H16O3/c1-9(2,3)8(10)11-5-4-7-6-12-7/h7H,4-6H2,1-3H3/t7-/m0/s1
InChI Key:
ZUFDLDAISZCFCK-ZETCQYMHSA-N
SMILES:
O=C(C(C)(C)C)OCC[C@@H]1OC1
Properties
Complexity:
169
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:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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